From f5e0f6613d2cf6fc4f2a5a0dd937db5370dc544d Mon Sep 17 00:00:00 2001 From: "W. Trevor King" Date: Sun, 16 Mar 2014 15:43:11 -0700 Subject: [PATCH] novice/shell: Copy/paste from origin/master I couldn't find a way to merge these without clobbering a bunch of other files, so this is just a copy-paste of the current status as of a42f07f (Merge pull request #347 from gvwilson/sticking-with-jekyll, 2014-03-12). --- novice/shell/00-intro.md | 137 + novice/shell/01-filedir.md | 526 +++ novice/shell/02-create.md | 501 +++ novice/shell/03-pipefilter.md | 541 +++ novice/shell/04-loop.md | 502 +++ novice/shell/05-script.md | 487 +++ novice/shell/06-find.md | 506 +++ novice/shell/README.txt | 7 + novice/shell/creatures/basilisk.dat | 163 + novice/shell/creatures/unicorn.dat | 163 + novice/shell/filesystem/data/access.log | 1 + novice/shell/filesystem/data/hardware.cfg | 2 + novice/shell/filesystem/data/network.cfg | 1 + .../2012-07-03/NENE01729A.txt | 300 ++ .../2012-07-03/NENE01729B.txt | 300 ++ .../2012-07-03/NENE01736A.txt | 300 ++ .../2012-07-03/NENE01751A.txt | 300 ++ 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.../filesystem/users/vlad/data/elements/B.xml | 9 + .../users/vlad/data/elements/Ba.xml | 9 + .../users/vlad/data/elements/Be.xml | 9 + .../users/vlad/data/elements/Bi.xml | 9 + .../users/vlad/data/elements/Bk.xml | 7 + .../users/vlad/data/elements/Br.xml | 9 + .../filesystem/users/vlad/data/elements/C.xml | 9 + .../users/vlad/data/elements/Ca.xml | 9 + .../users/vlad/data/elements/Cd.xml | 9 + .../users/vlad/data/elements/Ce.xml | 9 + .../users/vlad/data/elements/Cf.xml | 7 + .../users/vlad/data/elements/Cl.xml | 9 + .../users/vlad/data/elements/Cm.xml | 7 + .../users/vlad/data/elements/Co.xml | 9 + .../users/vlad/data/elements/Cr.xml | 9 + .../users/vlad/data/elements/Cs.xml | 9 + .../users/vlad/data/elements/Cu.xml | 9 + .../users/vlad/data/elements/Dy.xml | 9 + .../users/vlad/data/elements/Er.xml | 9 + .../users/vlad/data/elements/Es.xml | 7 + .../users/vlad/data/elements/Eu.xml | 9 + .../filesystem/users/vlad/data/elements/F.xml | 9 + .../users/vlad/data/elements/Fe.xml | 9 + 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.../filesystem/users/vlad/data/pdb/glycol.pdb | 14 + .../filesystem/users/vlad/data/pdb/heme.pdb | 79 + .../users/vlad/data/pdb/lactic-acid.pdb | 15 + .../users/vlad/data/pdb/lactose.pdb | 49 + .../users/vlad/data/pdb/lanoxin.pdb | 248 ++ .../filesystem/users/vlad/data/pdb/lsd.pdb | 53 + .../users/vlad/data/pdb/maltose.pdb | 49 + .../users/vlad/data/pdb/menthol.pdb | 35 + .../users/vlad/data/pdb/methane.pdb | 9 + .../users/vlad/data/pdb/methanol.pdb | 10 + .../filesystem/users/vlad/data/pdb/mint.pdb | 36 + .../users/vlad/data/pdb/morphine.pdb | 44 + .../users/vlad/data/pdb/mustard.pdb | 41 + .../filesystem/users/vlad/data/pdb/nerol.pdb | 33 + .../users/vlad/data/pdb/norethindrone.pdb | 51 + .../filesystem/users/vlad/data/pdb/octane.pdb | 30 + .../users/vlad/data/pdb/pentane.pdb | 21 + .../users/vlad/data/pdb/piperine.pdb | 44 + .../users/vlad/data/pdb/propane.pdb | 15 + .../users/vlad/data/pdb/pyridoxal.pdb | 25 + .../users/vlad/data/pdb/quinine.pdb | 52 + 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100644 novice/shell/scripting/vitamin-a.pdb diff --git a/novice/shell/00-intro.md b/novice/shell/00-intro.md new file mode 100644 index 0000000..4ec1c71 --- /dev/null +++ b/novice/shell/00-intro.md @@ -0,0 +1,137 @@ +--- +layout: lesson +root: ../.. +title: Introducing the Shell +--- +
+ +#### Objectives +* Explain how the shell relates to the keyboard, the screen, the operating system, and users' programs. +* Explain when and why command-line interfaces should be used instead of graphical interfaces. + +
+ +Nelle Nemo, a marine biologist, +has just returned from a six-month survey of the +[North Pacific Gyre](http://en.wikipedia.org/wiki/North_Pacific_Gyre), +where she has been sampling gelatinous marine life in the +[Great Pacific Garbage Patch](http://en.wikipedia.org/wiki/Great_Pacific_Garbage_Patch). +She has 1520 samples in all, and now needs to: + +1. Run each sample through an assay machine + that will measure the relative abundance of 300 different proteins. + The machine's output for a single sample is + a file with one line for each protein. +2. Calculate statistics for each of the proteins separately + using a program her supervisor wrote called `goostat`. +3. Compare the statistics for each protein + with corresponding statistics for each other protein + using a program one of the other graduate students wrote called `goodiff`. +4. Write up. + Her supervisor would really like her to do this by the end of the month + so that her paper can appear in an upcoming special issue of *Aquatic Goo Letters*. + +It takes about half an hour for the assay machine to process each sample. +The good news is, +it only takes two minutes to set each one up. +Since her lab has eight assay machines that she can use in parallel, +this step will "only" take about two weeks. + +The bad news is that if she has to run `goostat` and `goodiff` by hand, +she'll have to enter filenames and click "OK" 45,150 times +(300 runs of `goostat`, plus 300×299/2 runs of `goodiff`). +At 30 seconds each, +that will take more than two weeks. +Not only would she miss her paper deadline, +the chances of her typing all of those commands right are practically zero. + +The next few lessons will explore what she should do instead. +More specifically, +they explain how she can use a command shell +to automate the repetitive steps in her processing pipeline +so that her computer can work 24 hours a day while she writes her paper. +As a bonus, +once she has put a processing pipeline together, +she will be able to use it again whenever she collects more data. + +#### What and Why + +At a high level, computers do four things: + +- run programs; +- store data; +- communicate with each other; and +- interact with us. + +They can do the last of these in many different ways, +including direct brain-computer links and speech interfaces. +Since these are still in their infancy, +most of us use windows, icons, mice, and pointers. +These technologies didn't become widespread until the 1980s, +but their roots go back to Doug Engelbart's work in the 1960s, +which you can see in what has been called +"[The Mother of All Demos](http://www.youtube.com/watch?v=a11JDLBXtPQ)". + +Going back even further, +the only way to interact with early computers was to rewire them. +But in between, +from the 1950s to the 1980s, +most people used line printers. +These devices only allowed input and output of the letters, numbers, and punctuation found on a standard keyboard, +so programming languages and interfaces had to be designed around that constraint. + +This kind of interface is called a +[command-line interface](../../gloss.html#cli), or CLI, +to distinguish it from the +[graphical user interface](../../gloss.html#gui), or GUI, +that most people now use. +The heart of a CLI is a [read-evaluate-print loop](../../gloss.html#repl), or REPL: +when the user types a command and then presses the enter (or return) key, +the computer reads it, +executes it, +and prints its output. +The user then types another command, +and so on until the user logs off. + +This description makes it sound as though the user sends commands directly to the computer, +and the computer sends output directly to the user. +In fact, +there is usually a program in between called a +[command shell](../../gloss.html#shell). +What the user types goes into the shell; +it figures out what commands to run and orders the computer to execute them. + +A shell is a program like any other. +What's special about it is that its job is to run other programs +rather than to do calculations itself. +The most popular Unix shell is Bash, +the Bourne Again SHell +(so-called because it's derived from a shell written by Stephen Bourne—this +is what passes for wit among programmers). +Bash is the default shell on most modern implementations of Unix, +and in most packages that provide Unix-like tools for Windows. + +Using Bash or any other shell +sometimes feels more like programming than like using a mouse. +Commands are terse (often only a couple of characters long), +their names are frequently cryptic, +and their output is lines of text rather than something visual like a graph. +On the other hand, +the shell allows us to combine existing tools in powerful ways with only a few keystrokes +and to set up pipelines to handle large volumes of data automatically. +In addition, +the command line is often the easiest way to interact with remote machines. +As clusters and cloud computing become more popular for scientific data crunching, +being able to drive them is becoming a necessary skill. + +
+ +#### Key Points +* A shell is a program whose primary purpose is to read commands and run other programs. +* The shell's main advantages are its high action-to-keystroke ratio, + its support for automating repetitive tasks, + and that it can be used to access networked machines. +* The shell's main disadvantages are its primarily textual nature + and how cryptic its commands and operation can be. + +
diff --git a/novice/shell/01-filedir.md b/novice/shell/01-filedir.md new file mode 100644 index 0000000..504f3e4 --- /dev/null +++ b/novice/shell/01-filedir.md @@ -0,0 +1,526 @@ +--- +layout: lesson +root: ../.. +title: Files and Directories +--- +
+ +#### Objectives +* Explain the similarities and differences between a file and a directory. +* Translate an absolute path into a relative path and vice versa. +* Construct absolute and relative paths that identify specific files and directories. +* Explain the steps in the shell's read-run-print cycle. +* Identify the actual command, flags, and filenames in a command-line call. +* Demonstrate the use of tab completion, and explain its advantages. + +
+ +The part of the operating system responsible for managing files and directories +is called the [file system](../../gloss.html#filesystem). +It organizes our data into files, +which hold information, +and directories (also called "folders"), +which hold files or other directories. + +Several commands are frequently used to create, inspect, rename, and delete files and directories. +To start exploring them, +let's open a shell window: + +
+~~~ +$ +~~~ +
+ +The dollar sign is a [prompt](../../gloss.html#prompt), +which shows us that the shell is waiting for input; +your shell may show something more elaborate. + +Type the command `whoami`, +then press the Enter key (sometimes marked Return) to send the command to the shell. +The command's output is the ID of the current user, +i.e., +it shows us who the shell thinks we are: + +
+~~~ +$ whoami +~~~ +
+
+~~~ +vlad +~~~ +
+ +More specifically, when we type `whoami` the shell: + +1. finds a program called `whoami`, +2. runs that program, +3. displays that program's output, then +4. displays a new prompt to tell us that it's ready for more commands. + +Next, +let's find out where we are by running a command called `pwd` +(which stands for "print working directory"). +At any moment, +our [current working directory](../../gloss.html#current-working-directory) +is our current default directory, +i.e., +the directory that the computer assumes we want to run commands in +unless we explicitly specify something else. +Here, +the computer's response is `/users/vlad`, +which is Vlad's [home directory](../../gloss.html#home-directory): + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad +~~~ +
+ +> #### Alphabet Soup +> +> If the command to find out who we are is `whoami`, the command to find +> out where we are ought to be called `whereami`, so why is it `pwd` +> instead? The usual answer is that in the early 1970s, when Unix was +> first being developed, every keystroke counted: the devices of the day +> were slow, and backspacing on a teletype was so painful that cutting the +> number of keystrokes in order to cut the number of typing mistakes was +> actually a win for usability. The reality is that commands were added to +> Unix one by one, without any master plan, by people who were immersed in +> its jargon. The result is as inconsistent as the roolz uv Inglish +> speling, but we're stuck with it now. + +To understand what a "home directory" is, +let's have a look at how the file system as a whole is organized. +At the top is the [root directory](../../gloss.html#root-directory) +that holds everything else. +We refer to it using a slash character `/` on its own; +this is the leading slash in `/users/vlad`. + +Inside that directory are several other directories: +`bin` (which is where some built-in programs are stored), +`data` (for miscellaneous data files), +`users` (where users' personal directories are located), +`tmp` (for temporary files that don't need to be stored long-term), +and so on: + +The Filesystem + +We know that our current working directory `/users/vlad` is stored inside `/users` +because `/users` is the first part of its name. +Similarly, +we know that `/users` is stored inside the root directory `/` +because its name begins with `/`. + +Underneath `/users`, +we find one directory for each user with an account on this machine. +The Mummy's files are stored in `/users/imhotep`, +Wolfman's in `/users/larry`, +and ours in `/users/vlad`, +which is why `vlad` is the last part of the directory's name. + +Home Directories + +> Notice that there are two meanings for the `/` character. +> When it appears at the front of a file or directory name, +> it refers to the root directory. When it appears *inside* a name, +> it's just a separator. + +Let's see what's in Vlad's home directory by running `ls`, +which stands for "listing": + +
+~~~ +$ ls +~~~ +
+
+~~~ +bin data mail music +notes.txt papers pizza.cfg solar +solar.pdf swc +~~~ +
+ +Vlad's Home Directory + +`ls` prints the names of the files and directories in the current directory in alphabetical order, +arranged neatly into columns. +We can make its output more comprehensible by using the [flag](../../gloss.html#command-line-flag) `-F`, +which tells `ls` to add a trailing `/` to the names of directories: + +
+~~~ +$ ls -F +~~~ +
+
+~~~ +bin/ data/ mail/ music/ +notes.txt papers/ pizza.cfg solar/ +solar.pdf swc/ +~~~ +
+ +Here, +we can see that `/users/vlad` contains seven [sub-directories](../../gloss.html#sub-directory). +The names that don't have trailing slashes, +like `notes.txt`, `pizza.cfg`, and `solar.pdf`, +are plain old files. +And note that there is a space between `ls` and `-F`: +without it, +the shell thinks we're trying to run a command called `ls-F`, +which doesn't exist. + +> #### What's In A Name? +> +> You may have noticed that all of Vlad's files' names are "something dot +> something". This is just a convention: we can call a file `mythesis` or +> almost anything else we want. However, most people use two-part names +> most of the time to help them (and their programs) tell different kinds +> of files apart. The second part of such a name is called the +> [filename extension](../../gloss.html#filename-extension), and indicates +> what type of data the file holds: `.txt` signals a plain text file, `.pdf` +> indicates a PDF document, `.cfg` is a configuration file full of parameters +> for some program or other, and so on. +> +> This is just a convention, albeit an important one. Files contain +> bytes: it's up to us and our programs to interpret those bytes +> according to the rules for PDF documents, images, and so on. +> +> Naming a PNG image of a whale as `whale.mp3` doesn't somehow +> magically turn it into a recording of whalesong, though it *might* +> cause the operating system to try to open it with a music player +> when someone double-clicks it. + +Now let's take a look at what's in Vlad's `data` directory by running `ls -F data`, +i.e., +the command `ls` with the parameters `-F` and `data`. +The second parameter—the one *without* a leading dash—tells `ls` that +we want a listing of something other than our current working directory: + +
+~~~ +$ ls -F data +~~~ +
+
+~~~ +amino-acids.txt elements/ morse.txt +pdb/ planets.txt sunspot.txt +~~~ +
+ +The output shows us that there are four text files and two sub-sub-directories. +Organizing things hierarchically in this way helps us keep track of our work: +it's possible to put hundreds of files in our home directory, +just as it's possible to pile hundreds of printed papers on our desk, +but it's a self-defeating strategy. + +Notice, by the way that we spelled the directory name `data`. +It doesn't have a trailing slash: +that's added to directory names by `ls` when we use the `-F` flag to help us tell things apart. +And it doesn't begin with a slash because it's a [relative path](../../gloss.html#relative-path), +i.e., it tells `ls` how to find something from where we are, +rather than from the root of the file system. + +If we run `ls -F /data` (*with* a leading slash) we get a different answer, +because `/data` is an [absolute path](../../gloss.html#absolute-path): + +
+~~~ +$ ls -F /data +~~~ +
+
+~~~ +access.log backup/ hardware.cfg +network.cfg +~~~ +
+ +The leading `/` tells the computer to follow the path from the root of the filesystem, +so it always refers to exactly one directory, +no matter where we are when we run the command. + +What if we want to change our current working directory? +Before we do this, +`pwd` shows us that we're in `/users/vlad`, +and `ls` without any parameters shows us that directory's contents: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad +~~~ +
+
+~~~ +$ ls +~~~ +
+
+~~~ +bin/ data/ mail/ music/ +notes.txt papers/ pizza.cfg solar/ +solar.pdf swc/ +~~~ +
+ +We can use `cd` followed by a directory name to change our working directory. +`cd` stands for "change directory", +which is a bit misleading: +the command doesn't change the directory, +it changes the shell's idea of what directory we are in. + +
+~~~ +$ cd data +~~~ +
+ +`cd` doesn't print anything, +but if we run `pwd` after it, we can see that we are now in `/users/vlad/data`. +If we run `ls` without parameters now, +it lists the contents of `/users/vlad/data`, +because that's where we now are: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad/data +~~~ +
+
+~~~ +$ ls +~~~ +
+
+~~~ +amino-acids.txt elements/ morse.txt +pdb/ planets.txt sunspot.txt +~~~ +
+ +We now know how to go down the directory tree: +how do we go up? +We could use an absolute path: + +
+~~~ +$ cd /users/vlad +~~~ +
+ +but it's almost always simpler to use `cd ..` to go up one level: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad/data +~~~ +
+
+~~~ +$ cd .. +~~~ +
+ +`..` is a special directory name meaning +"the directory containing this one", +or more succinctly, +the [parent](../../gloss.html#parent-directory) of the current directory. +Sure enough, +if we run `pwd` after running `cd ..`, we're back in `/users/vlad`: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad +~~~ +
+ +The special directory `..` doesn't usually show up when we run `ls`. +If we want to display it, we can give `ls` the `-a` flag: + +
+~~~ +$ ls -F -a +~~~ +
+
+~~~ +./ ../ bin/ data/ +mail/ music/ notes.txt papers/ +pizza.cfg solar/ solar.pdf swc/ +~~~ +
+ +`-a` stands for "show all"; +it forces `ls` to show us file and directory names that begin with `.`, +such as `..` (which, if we're in `/users/vlad`, refers to the `/users` directory). +As you can see, +it also displays another special directory that's just called `.`, +which means "the current working directory". +It may seem redundant to have a name for it, +but we'll see some uses for it soon. + +> #### Orthogonality +> +> The special names `.` and `..` don't belong to `ls`; +> they are interpreted the same way by every program. +> For example, +> if we are in `/users/vlad/data`, +> the command `ls ..` will give us a listing of `/users/vlad`. +> When the meanings of the parts are the same no matter how they're combined, +> programmers say they are [orthogonal](../../gloss.html#orthogonal): +> Orthogonal systems tend to be easier for people to learn +> because there are fewer special cases and exceptions to keep track of. + +#### Nelle's Pipeline: Organizing Files + +Knowing just this much about files and directories, +Nelle is ready to organize the files that the protein assay machine will create. +First, +she creates a directory called `north-pacific-gyre` +(to remind herself where the data came from). +Inside that, +she creates a directory called `2012-07-03`, +which is the date she started processing the samples. +She used to use names like `conference-paper` and `revised-results`, +but she found them hard to understand after a couple of years. +(The final straw was when she found herself creating +a directory called `revised-revised-results-3`.) + +> Nelle names her directories "year-month-day", +> with leading zeroes for months and days, +> because the shell displays file and directory names in alphabetical order. +> If she used month names, +> December would come before July; +> if she didn't use leading zeroes, +> November ('11') would come before July ('7'). + +Each of her physical samples is labelled according to her lab's convention +with a unique ten-character ID, +such as "NENE01729A". +This is what she used in her collection log +to record the location, time, depth, and other characteristics of the sample, +so she decides to use it as part of each data file's name. +Since the assay machine's output is plain text, +she will call her files `NENE01729A.txt`, `NENE01812A.txt`, and so on. +All 1520 files will go into the same directory. + +If she is in her home directory, +Nelle can see what files she has using the command: + +
+~~~ +$ ls north-pacific-gyre/2012-07-03/ +~~~ +
+ +This is a lot to type, +but she can let the shell do most of the work. +If she types: + +
+~~~ +$ ls no +~~~ +
+ +and then presses tab, +the shell automatically completes the directory name for her: + +
+~~~ +$ ls north-pacific-gyre/ +~~~ +
+ +If she presses tab again, +Bash will add `2012-07-03/` to the command, +since it's the only possible completion. +Pressing tab again does nothing, +since there are 1520 possibilities; +pressing tab twice brings up a list of all the files, +and so on. +This is called [tab completion](../../gloss.html#tab-completion), +and we will see it in many other tools as we go on. + +
+ +#### Key Points +* The file system is responsible for managing information on the disk. +* Information is stored in files, which are stored in directories (folders). +* Directories can also store other directories, which forms a directory tree. +* `/` on its own is the root directory of the whole filesystem. +* A relative path specifies a location starting from the current location. +* An absolute path specifies a location from the root of the filesystem. +* Directory names in a path are separated with '/' on Unix, but '\\' on Windows. +* '..' means "the directory above the current one"; + '.' on its own means "the current directory". +* Most files' names are `something.extension`. + The extension isn't required, + and doesn't guarantee anything, + but is normally used to indicate the type of data in the file. +* Most commands take options (flags) which begin with a '-'. + +
+ +
+ +#### Challenges + +Filesystem for Challenge Questions + +1. If `pwd` displays `/users/thing`, what will `ls ../backup` display? + 1. `../backup: No such file or directory` + 2. `2012-12-01 2013-01-08 2013-01-27` + 3. `2012-12-01/ 2013-01-08/ 2013-01-27/` + 4. `original pnas_final pnas_sub` + +2. If `pwd` displays `/users/backup`, + and `-r` tells `ls` to display things in reverse order, + what command will display: + + ~~~ + pnas-sub/ pnas-final/ original/ + ~~~ + + 1. `ls pwd` + 2. `ls -r -F` + 3. `ls -r -F /users/backup` + 4. Either \#2 or \#3 above, but not \#1. + +3. What does the command `cd` without a directory name do? + 1. It has no effect. + 2. It changes the working directory to `/`. + 3. It changes the working directory to the user's home directory. + 4. It produces an error message. + +
diff --git a/novice/shell/02-create.md b/novice/shell/02-create.md new file mode 100644 index 0000000..95cafed --- /dev/null +++ b/novice/shell/02-create.md @@ -0,0 +1,501 @@ +--- +layout: lesson +root: ../.. +title: Creating Things +--- +
+ +#### Objectives +* Create a directory hierarchy that matches a given diagram. +* Create files in that hierarchy using an editor or by copying and renaming existing files. +* Display the contents of a directory using the command line. +* Delete specified files and/or directories. + +
+ +We now know how to explore files and directories, +but how do we create them in the first place? +Let's go back to Vlad's home directory, +`/users/vlad`, +and use `ls -F` to see what it contains: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad +~~~ +
+
+~~~ +$ ls -F +~~~ +
+
+~~~ +bin/ data/ mail/ music/ +notes.txt papers/ pizza.cfg solar/ +solar.pdf swc/ +~~~ +
+ +Let's create a new directory called `thesis` using the command `mkdir thesis` +(which has no output): + +
+~~~ +$ mkdir thesis +~~~ +
+ +As you might (or might not) guess from its name, +`mkdir` means "make directory". +Since `thesis` is a relative path +(i.e., doesn't have a leading slash), +the new directory is made below the current working directory: + +
+~~~ +$ ls -F +~~~ +
+
+~~~ +bin/ data/ mail/ music/ +notes.txt papers/ pizza.cfg solar/ +solar.pdf swc/ thesis/ +~~~ +
+ +However, there's nothing in it yet: + +
+~~~ +$ ls -F thesis +~~~ +
+ +Let's change our working directory to `thesis` using `cd`, +then run a text editor called Nano to create a file called `draft.txt`: + +
+~~~ +$ cd thesis +$ nano draft.txt +~~~ +
+ +> #### Which Editor? +> +> When we say, "`nano` is a text editor," we really do mean "text": it can +> only work with plain character data, not tables, images, or any other +> human-friendly media. We use it in examples because almost anyone can +> drive it anywhere without training, but please use something more +> powerful for real work. On Unix systems (such as Linux and Mac OS X), +> many programmers use [Emacs](http://www.gnu.org/software/emacs/) or +> [Vim](http://www.vim.org/) (both of which are completely unintuitive, +> even by Unix standards), or a graphical editor such as +> [Gedit](http://projects.gnome.org/gedit/). On Windows, you may wish to +> use [Notepad++](http://notepad-plus-plus.org/). +> +> No matter what editor you use, you will need to know where it searches +> for and saves files. If you start it from the shell, it will (probably) +> use your current working directory as its default location. If you use +> your computer's start menu, it may want to save files in your desktop or +> documents directory instead. You can change this by navigating to +> another directory the first time you "Save As..." + +Let's type in a few lines of text, +then use Control-O to write our data to disk: + +Nano in Action + +Once our file is saved, +we can use Control-X to quit the editor and return to the shell. +(Unix documentation often uses the shorthand `^A` to mean "control-A".) +`nano` doesn't leave any output on the screen after it exits, +but `ls` now shows that we have created a file called `draft.txt`: + +
+~~~ +$ ls +~~~ +
+
+~~~ +draft.txt +~~~ +
+ +We can run `ls` with the `-s` flag (for "size") +to show us how large `draft.txt` is: + +
+~~~ +$ ls -s +~~~ +
+
+~~~ + 1 draft.txt +~~~ +
+ +Unfortunately, +Unix reports sizes in [disk blocks](../../gloss.html#disk-block) by default, +which might be the least helpful default possible. +If we add the `-h` flag, +`ls` switches to more human-friendly units: + +
+~~~ +$ ls -s -h +~~~ +
+
+~~~ + 512 draft.txt +~~~ +
+ +Here, 512 is the number of bytes in the file. +This is more than we actually typed in because the smallest unit of storage on the disk +is typically a block of 512 bytes. + +Let's tidy up by running `rm draft.txt`: + +
+~~~ +$ rm draft.txt +~~~ +
+ +This command removes files ("rm" is short for "remove"). +If we run `ls` again, +its output is empty once more, +which tells us that our file is gone: + +
+~~~ +$ ls +~~~ +
+ +> #### Deleting Is Forever +> +> Unix doesn't have a trash bin: when we delete files, they are unhooked +> from the file system so that their storage space on disk can be +> recycled. Tools for finding and recovering deleted files do exist, but +> there's no guarantee they'll work in any particular situation, since the +> computer may recycle the file's disk space right away. + +Let's re-create that file +and then move up one directory to `/users/vlad` using `cd ..`: + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad/thesis +~~~ +
+
+~~~ +$ nano draft.txt +$ ls +~~~ +
+
+~~~ +draft.txt +~~~ +
+
+~~~ +$ cd .. +~~~ +
+ +If we try to remove the entire `thesis` directory using `rm thesis`, +we get an error message: + +
+~~~ +$ rm thesis +~~~ +
+
+~~~ +rm: cannot remove `thesis': Is a directory +~~~ +
+ +This happens because `rm` only works on files, not directories. +The right command is `rmdir`, +which is short for "remove directory". +It doesn't work yet either, though, +because the directory we're trying to remove isn't empty: + +
+~~~ +$ rmdir thesis +~~~ +
+
+~~~ +rmdir: failed to remove `thesis': Directory not empty +~~~ +
+ +This little safety feature can save you a lot of grief, +particularly if you are a bad typist. +To really get rid of `thesis` we must first delete the file `draft.txt`: + +
+~~~ +$ rm thesis/draft.txt +~~~ +
+ +The directory is now empty, so `rmdir` can delete it: + +
+~~~ +$ rmdir thesis +~~~ +
+ +> #### With Great Power Comes Great Responsibility +> +> Removing the files in a directory just so that we can remove the +> directory quickly becomes tedious. Instead, we can use `rm` with the +> `-r` flag (which stands for "recursive"): +> +> ~~~ +> $ rm -r thesis +> ~~~ +> +> This removes everything in the directory, then the directory itself. If +> the directory contains sub-directories, `rm -r` does the same thing to +> them, and so on. It's very handy, but can do a lot of damage if used +> without care. + +Let's create that directory and file one more time. +(Note that this time we're running `nano` with the path `thesis/draft.txt`, +rather than going into the `thesis` directory and running `nano` on `draft.txt` there.) + +
+~~~ +$ pwd +~~~ +
+
+~~~ +/users/vlad +~~~ +
+
+~~~ +$ mkdir thesis +~~~ +
+
+~~~ +$ nano thesis/draft.txt +$ ls thesis +~~~ +
+
+~~~ +draft.txt +~~~ +
+ +`draft.txt` isn't a particularly informative name, +so let's change the file's name using `mv`, +which is short for "move": + +
+~~~ +$ mv thesis/draft.txt thesis/quotes.txt +~~~ +
+ +The first parameter tells `mv` what we're "moving", +while the second is where it's to go. +In this case, +we're moving `thesis/draft.txt` to `thesis/quotes.txt`, +which has the same effect as renaming the file. +Sure enough, +`ls` shows us that `thesis` now contains one file called `quotes.txt`: + +
+~~~ +$ ls thesis +~~~ +
+
+~~~ +quotes.txt +~~~ +
+ +Just for the sake of inconsistency, +`mv` also works on directories—there is no separate `mvdir` command. + +Let's move `quotes.txt` into the current working directory. +We use `mv` once again, +but this time we'll just use the name of a directory as the second parameter +to tell `mv` that we want to keep the filename, +but put the file somewhere new. +(This is why the command is called "move".) +In this case, +the directory name we use is the special directory name `.` that we mentioned earlier. + +
+~~~ +$ mv thesis/quotes.txt . +~~~ +
+ +The effect is to move the file from the directory it was in to the current working directory. +`ls` now shows us that `thesis` is empty: + +
+~~~ +$ ls thesis +~~~ +
+ +Further, +`ls` with a filename or directory name as a parameter only lists that file or directory. +We can use this to see that `quotes.txt` is still in our current directory: + +
+~~~ +$ ls quotes.txt +~~~ +
+
+~~~ +quotes.txt +~~~ +
+ +The `cp` command works very much like `mv`, +except it copies a file instead of moving it. +We can check that it did the right thing using `ls` +with two paths as parameters—like most Unix commands, +`ls` can be given thousands of paths at once: + +
+~~~ +$ cp quotes.txt thesis/quotations.txt +$ ls quotes.txt thesis/quotations.txt +~~~ +
+
+~~~ +quotes.txt thesis/quotations.txt +~~~ +
+ +To prove that we made a copy, +let's delete the `quotes.txt` file in the current directory +and then run that same `ls` again. +This time it tells us that it can't find `quotes.txt` in the current directory, +but it does find the copy in `thesis` that we didn't delete: + +
+~~~ +$ ls quotes.txt thesis/quotations.txt +~~~ +
+
+~~~ +ls: cannot access quotes.txt: No such file or directory +thesis/quotations.txt +~~~ +
+ +> #### Another Useful Abbreviation +> +> The shell interprets the character `~` (tilde) at the start of a path to +> mean "the current user's home directory". For example, if Vlad's home +> directory is `/home/vlad`, then `~/data` is equivalent to +> `/home/vlad/data`. This only works if it is the first character in the +> path: `here/there/~/elsewhere` is *not* `/home/vlad/elsewhere`. + +
+ +#### Key Points +* Unix documentation uses '^A' to mean "control-A". +* The shell does not have a trash bin: once something is deleted, it's really gone. +* Nano is a very simple text editor—please use something else for real work. + +
+ +
+ +#### Challenges + +1. What is the output of the closing `ls` command in the sequence shown below? + + ~~~ + $ pwd + /home/thing/data + $ ls + proteins.dat + $ mkdir recombine + $ mv proteins.dat recombine + $ cp recombine/proteins.dat ../proteins-saved.dat + $ ls + ~~~ + +2. Suppose that: + + ~~~ + $ ls -F + analyzed/ fructose.dat raw/ sucrose.dat + ~~~ + + What command(s) could you run so that the commands below will produce the output shown? + + ~~~ + $ ls + analyzed raw + $ ls analyzed + fructose.dat sucrose.dat + ~~~ + +3. What does `cp` do when given several filenames and a directory name, as in: + + ~~~ + $ mkdir backup + $ cp thesis/citations.txt thesis/quotations.txt backup + ~~~ + + What does `cp` do when given three or more filenames, as in: + + ~~~ + $ ls -F + intro.txt methods.txt survey.txt + $ cp intro.txt methods.txt survey.txt + ~~~ + + Why do you think `cp`'s behavior is different from `mv`'s? + +4. The command `ls -R` lists the contents of directories recursively, + i.e., lists their sub-directories, sub-sub-directories, and so on + in alphabetical order at each level. + The command `ls -t` lists things by time of last change, + with most recently changed files or directories first. + In what order does `ls -R -t` display things? + +
diff --git a/novice/shell/03-pipefilter.md b/novice/shell/03-pipefilter.md new file mode 100644 index 0000000..b976aa5 --- /dev/null +++ b/novice/shell/03-pipefilter.md @@ -0,0 +1,541 @@ +--- +layout: lesson +root: ../.. +title: Pipes and Filters +--- +
+ +#### Objectives +* Redirect a command's output to a file. +* Process a file instead of keyboard input using redirection. +* Construct command pipelines with two or more stages. +* Explain what usually happens if a program or pipeline isn't given any input to process. +* Explain Unix's "small pieces, loosely joined" philosophy. + +
+ +Now that we know a few basic commands, +we can finally look at the shell's most powerful feature: +the ease with which it lets us combine existing programs in new ways. +We'll start with a directory called `molecules` +that contains six files describing some simple organic molecules. +The `.pdb` extension indicates that these files are in Protein Data Bank format, +a simple text format that specifies the type and position of each atom in the molecule. + +
+~~~ +$ ls molecules +~~~ +
+
+~~~ +cubane.pdb ethane.pdb methane.pdb +octane.pdb pentane.pdb propane.pdb +~~~ +
+ +Let's go into that directory with `cd` and run the command `wc *.pdb`. +`wc` is the "word count" command: +it counts the number of lines, words, and characters in files. +The `*` in `*.pdb` matches zero or more characters, +so the shell turns `*.pdb` into a complete list of `.pdb` files: + +
+~~~ +$ cd molecules +$ wc *.pdb +~~~ +
+
+~~~ + 20 156 1158 cubane.pdb + 12 84 622 ethane.pdb + 9 57 422 methane.pdb + 30 246 1828 octane.pdb + 21 165 1226 pentane.pdb + 15 111 825 propane.pdb + 107 819 6081 total +~~~ +
+ +> #### Wildcards +> +> `*` is a [wildcard](../../gloss.html#wildcard). It matches zero or more +> characters, so `*.pdb` matches `ethane.pdb`, `propane.pdb`, and so on. +> On the other hand, `p*.pdb` only matches `pentane.pdb` and +> `propane.pdb`, because the 'p' at the front only matches itself. +> +> `?` is also a wildcard, but it only matches a single character. This +> means that `p?.pdb` matches `pi.pdb` or `p5.pdb`, but not `propane.pdb`. +> We can use any number of wildcards at a time: for example, `p*.p?*` +> matches anything that starts with a 'p' and ends with '.', 'p', and at +> least one more character (since the '?' has to match one character, and +> the final '\*' can match any number of characters). Thus, `p*.p?*` would +> match `preferred.practice`, and even `p.pi` (since the first '\*' can +> match no characters at all), but not `quality.practice` (doesn't start +> with 'p') or `preferred.p` (there isn't at least one character after the +> '.p'). +> +> When the shell sees a wildcard, it expands the wildcard to create a +> list of matching filenames *before* running the command that was +> asked for. This means that commands like `wc` and `ls` never see +> the wildcard characters, just what those wildcards matched. This is +> another example of orthogonal design. + +If we run `wc -l` instead of just `wc`, +the output shows only the number of lines per file: + +
+~~~ +$ wc -l *.pdb +~~~ +
+
+~~~ + 20 cubane.pdb + 12 ethane.pdb + 9 methane.pdb + 30 octane.pdb + 21 pentane.pdb + 15 propane.pdb + 107 total +~~~ +
+ +We can also use `-w` to get only the number of words, +or `-c` to get only the number of characters. + +Which of these files is shortest? +It's an easy question to answer when there are only six files, +but what if there were 6000? +Our first step toward a solution is to run the command: + +
+~~~ +$ wc -l *.pdb > lengths +~~~ +
+ +The `>` tells the shell to [redirect](../../gloss.html#redirect) the command's output +to a file instead of printing it to the screen. +The shell will create the file if it doesn't exist, +or overwrite the contents of that file if it does. +(This is why there is no screen output: +everything that `wc` would have printed has gone into the file `lengths` instead.) +`ls lengths` confirms that the file exists: + +
+~~~ +$ ls lengths +~~~ +
+
+~~~ +lengths +~~~ +
+ +We can now send the content of `lengths` to the screen using `cat lengths`. +`cat` stands for "concatenate": +it prints the contents of files one after another. +There's only one file in this case, +so `cat` just shows us what it contains: + +
+~~~ +$ cat lengths +~~~ +
+
+~~~ + 20 cubane.pdb + 12 ethane.pdb + 9 methane.pdb + 30 octane.pdb + 21 pentane.pdb + 15 propane.pdb + 107 total +~~~ +
+ +Now let's use the `sort` command to sort its contents. +This does *not* change the file; +instead, it sends the sorted result to the screen: + +
+~~~ +$ sort lengths +~~~ +
+
+~~~ + 9 methane.pdb + 12 ethane.pdb + 15 propane.pdb + 20 cubane.pdb + 21 pentane.pdb + 30 octane.pdb +107 total +~~~ +
+ +We can put the sorted list of lines in another temporary file called `sorted-lengths` +by putting `> sorted-lengths` after the command, +just as we used `> lengths` to put the output of `wc` into `lengths`. +Once we've done that, +we can run another command called `head` to get the first few lines in `sorted-lengths`: + +
+~~~ +$ sort lengths > sorted-lengths +$ head -1 sorted-lengths +~~~ +
+
+~~~ + 9 methane.pdb +~~~ +
+ +Using the parameter `-1` with `head` tells it that +we only want the first line of the file; +`-20` would get the first 20, +and so on. +Since `sorted-lengths` contains the lengths of our files ordered from least to greatest, +the output of `head` must be the file with the fewest lines. + +If you think this is confusing, +you're in good company: +even once you understand what `wc`, `sort`, and `head` do, +all those intermediate files make it hard to follow what's going on. +We can make it easier to understand by running `sort` and `head` together: + +
+~~~ +$ sort lengths | head -1 +~~~ +
+
+~~~ + 9 methane.pdb +~~~ +
+ +The vertical bar between the two commands is called a [pipe](../../gloss.html#pipe). +It tells the shell that we want to use +the output of the command on the left +as the input to the command on the right. +The computer might create a temporary file if it needs to, +or copy data from one program to the other in memory, +or something else entirely; +we don't have to know or care. + +We can use another pipe to send the output of `wc` directly to `sort`, +which then sends its output to `head`: + +
+~~~ +$ wc -l *.pdb | sort | head -1 +~~~ +
+
+~~~ + 9 methane.pdb +~~~ +
+ +This is exactly like a mathematician nesting functions like *sin(πx)2* +and saying "the square of the sine of *x* times π". +In our case, +the calculation is "head of sort of word count of `*.pdb`". + +Here's what actually happens behind the scenes when we create a pipe. +When a computer runs a program—any program—it creates a [process](../../gloss.html#process) +in memory to hold the program's software and its current state. +Every process has an input channel called [standard input](../../gloss.html#standard-input). +(By this point, you may be surprised that the name is so memorable, but don't worry: +most Unix programmers call it "stdin". +Every process also has a default output channel called [standard output](../../gloss.html#standard-output) +(or "stdout"). + +The shell is actually just another program. +Under normal circumstances, +whatever we type on the keyboard is sent to the shell on its standard input, +and whatever it produces on standard output is displayed on our screen. +When we tell the shell to run a program, +it creates a new process +and temporarily sends whatever we type on our keyboard to that process's standard input, +and whatever the process sends to standard output to the screen. + +Here's what happens when we run `wc -l *.pdb > lengths`. +The shell starts by telling the computer to create a new process to run the `wc` program. +Since we've provided some filenames as parameters, +`wc` reads from them instead of from standard input. +And since we've used `>` to redirect output to a file, +the shell connects the process's standard output to that file. + +If we run `wc -l *.pdb | sort` instead, +the shell creates two processes +(one for each process in the pipe) +so that `wc` and `sort` run simultaneously. +The standard output of `wc` is fed directly to the standard input of `sort`; +since there's no redirection with `>`, +`sort`'s output goes to the screen. +And if we run `wc -l *.pdb | sort | head -1`, +we get three processes with data flowing from the files, +through `wc` to `sort`, +and from `sort` through `head` to the screen. + +This simple idea is why Unix has been so successful. +Instead of creating enormous programs that try to do many different things, +Unix programmers focus on creating lots of simple tools that each do one job well, +and that work well with each other. +This programming model is called [pipes and filters](../../gloss.html#pipe-and-filter). +We've already seen pipes; +a [filter](../../gloss.html#filter) is a program like `wc` or `sort` +that transforms a stream of input into a stream of output. +Almost all of the standard Unix tools can work this way: +unless told to do otherwise, +they read from standard input, +do something with what they've read, +and write to standard output. + +The key is that any program that reads lines of text from standard input +and writes lines of text to standard output +can be combined with every other program that behaves this way as well. +You can *and should* write your programs this way +so that you and other people can put those programs into pipes to multiply their power. + +> #### Redirecting Input +> +> As well as using `>` to redirect a program's output, we can use `<` to +> redirect its input, i.e., to read from a file instead of from standard +> input. For example, instead of writing `wc ammonia.pdb`, we could write +> `wc < ammonia.pdb`. In the first case, `wc` gets a command line +> parameter telling it what file to open. In the second, `wc` doesn't have +> any command line parameters, so it reads from standard input, but we +> have told the shell to send the contents of `ammonia.pdb` to `wc`'s +> standard input. + +#### Nelle's Pipeline: Checking Files + +Nelle has run her samples through the assay machines +and created 1520 files in the `north-pacific-gyre/2012-07-03` directory described earlier. +As a quick sanity check, she types: + +
+~~~ +$ cd north-pacific-gyre/2012-07-03 +$ wc -l *.txt +~~~ +
+ +The output is 1520 lines that look like this: + +
+~~~ +300 NENE01729A.txt +300 NENE01729B.txt +300 NENE01736A.txt +300 NENE01751A.txt +300 NENE01751B.txt +300 NENE01812A.txt +... ... +~~~ +
+ +Now she types this: + +
+~~~ +$ wc -l *.txt | sort | head -5 +~~~ +
+
+~~~ + 240 NENE02018B.txt + 300 NENE01729A.txt + 300 NENE01729B.txt + 300 NENE01736A.txt + 300 NENE01751A.txt +~~~ +
+ +Whoops: one of the files is 60 lines shorter than the others. +When she goes back and checks it, +she sees that she did that assay at 8:00 on a Monday morning—someone +was probably in using the machine on the weekend, +and she forgot to reset it. +Before re-running that sample, +she checks to see if any files have too much data: + +
+~~~ +$ wc -l *.txt | sort | tail -5 +~~~ +
+
+~~~ + 300 NENE02040A.txt + 300 NENE02040B.txt + 300 NENE02040Z.txt + 300 NENE02043A.txt + 300 NENE02043B.txt +~~~ +
+ +Those numbers look good—but what's that 'Z' doing there in the third-to-last line? +All of her samples should be marked 'A' or 'B'; +by convention, +her lab uses 'Z' to indicate samples with missing information. +To find others like it, she does this: + +
+~~~ +$ ls *Z.txt +~~~ +
+
+~~~ +NENE01971Z.txt NENE02040Z.txt +~~~ +
+ +Sure enough, +when she checks the log on her laptop, +there's no depth recorded for either of those samples. +Since it's too late to get the information any other way, +she must exclude those two files from her analysis. +She could just delete them using `rm`, +but there are actually some analyses she might do later where depth doesn't matter, +so instead, she'll just be careful later on to select files using the wildcard expression `*[AB].txt`. +As always, +the '\*' matches any number of characters; +the expression `[AB]` matches either an 'A' or a 'B', +so this matches all the valid data files she has. + +
+ +#### Key Points +* `command > file` redirects a command's output to a file. +* `first | second` is a pipeline: the output of the first command is used as the input to the second. +* The best way to use the shell is to use pipes to combine simple single-purpose programs (filters). + +
+ +
+ +#### Challenges + +1. If we run `sort` on this file: + + ~~~ + 10 + 2 + 19 + 22 + 6 + ~~~ + + the output is: + + ~~~ + 10 + 19 + 2 + 22 + 6 + ~~~ + + If we run `sort -n` on the same input, we get this instead: + + ~~~ + 2 + 6 + 10 + 19 + 22 + ~~~ + + Explain why `-n` has this effect. + +2. What is the difference between: + + ~~~ + wc -l < mydata.dat + ~~~ + + and: + + ~~~ + wc -l mydata.dat + ~~~ + +3. The command `uniq` removes adjacent duplicated lines from its input. + For example, if a file `salmon.txt` contains: + + ~~~ + coho + coho + steelhead + coho + steelhead + steelhead + ~~~ + + then `uniq salmon.txt` produces: + + ~~~ + coho + steelhead + coho + steelhead + ~~~ + + Why do you think `uniq` only removes *adjacent* duplicated lines? + (Hint: think about very large data sets.) What other command could + you combine with it in a pipe to remove all duplicated lines? + +4. A file called `animals.txt` contains the following data: + + ~~~ + 2012-11-05,deer + 2012-11-05,rabbit + 2012-11-05,raccoon + 2012-11-06,rabbit + 2012-11-06,deer + 2012-11-06,fox + 2012-11-07,rabbit + 2012-11-07,bear + ~~~ + + What text passes through each of the pipes and the final redirect in the pipeline below? + + ~~~ + cat animals.txt | head -5 | tail -3 | sort -r > final.txt + ~~~ + +5. The command: + + ~~~ + $ cut -d , -f 2 animals.txt + ~~~ + + produces the following output: + + ~~~ + deer + rabbit + raccoon + rabbit + deer + fox + rabbit + bear + ~~~ + + What other command(s) could be added to this in a pipeline to find + out what animals the file contains (without any duplicates in their + names)? + +
diff --git a/novice/shell/04-loop.md b/novice/shell/04-loop.md new file mode 100644 index 0000000..59bab55 --- /dev/null +++ b/novice/shell/04-loop.md @@ -0,0 +1,502 @@ +--- +layout: lesson +root: ../.. +title: Loops +--- +
+ +#### Objectives +* Write a loop that applies one or more commands separately to each file in a set of files. +* Trace the values taken on by a loop variable during execution of the loop. +* Explain the difference between a variable's name and its value. +* Explain why spaces and some punctuation characters shouldn't be used in files' names. +* Demonstrate how to see what commands have recently been executed. +* Re-run recently executed commands without retyping them. + +
+ +Wildcards and tab completion are two ways to reduce typing (and typing mistakes). +Another is to tell the shell to do something over and over again. +Suppose we have several hundred genome data files named `basilisk.dat`, `unicorn.dat`, and so on. +When new files arrive, +we'd like to rename the existing ones to `original-basilisk.dat` and `original-unicorn.dat`. +We can't use: + +
+~~~ +$ mv *.dat original-*.dat +~~~ +
+ +because that would expand (in the two-file case) to: + +
+~~~ +$ mv basilisk.dat unicorn.dat +~~~ +
+ +This wouldn't back up our files: +it would replace the content of `unicorn.dat` with whatever's in `basilisk.dat`. + +Instead, we can use a [loop](../../gloss.html#for-loop) +to do some operation once for each thing in a list. +Here's a simple example that displays the first three lines of each file in turn: + +
+~~~ +$ for filename in basilisk.dat unicorn.dat +> do +> head -3 $filename +> done +~~~ +
+
+~~~ +COMMON NAME: basilisk +CLASSIFICATION: basiliscus vulgaris +UPDATED: 1745-05-02 +COMMON NAME: unicorn +CLASSIFICATION: equus monoceros +UPDATED: 1738-11-24 +~~~ +
+ +When the shell sees the keyword `for`, +it knows it is supposed to repeat a command (or group of commands) once for each thing in a list. +In this case, the list is the two filenames. +Each time through the loop, +the name of the thing currently being operated on is assigned to +the [variable](../../gloss.html#variable) called `filename`. +Inside the loop, +we get the variable's value by putting `$` in front of it: +`$filename` is `basilisk.dat` the first time through the loop, +`unicorn.dat` the second, +and so on. +Finally, +the command that's actually being run is our old friend `head`, +so this loop prints out the first three lines of each data file in turn. + +> #### Follow the Prompt +> +> The shell prompt changes from `$` to `>` and back again as we were +> typing in our loop. The second prompt, `>`, is different to remind +> us that we haven't finished typing a complete command yet. + +We have called the variable in this loop `filename` +in order to make its purpose clearer to human readers. +The shell itself doesn't care what the variable is called; +if we wrote this loop as: + +
+~~~ +for x in basilisk.dat unicorn.dat +do + head -3 $x +done +~~~ +
+ +or: + +
+~~~ +for temperature in basilisk.dat unicorn.dat +do + head -3 $temperature +done +~~~ +
+ +it would work exactly the same way. +*Don't do this.* +Programs are only useful if people can understand them, +so meaningless names (like `x`) or misleading names (like `temperature`) +increase the odds that the program won't do what its readers think it does. + +Here's a slightly more complicated loop: + +
+~~~ +for filename in *.dat +do + echo $filename + head -100 $filename | tail -20 +done +~~~ +
+ +The shell starts by expanding `*.dat` to create the list of files it will process. +The [loop body](../../gloss.html#loop-body) +then executes two commands for each of those files. +The first, `echo`, just prints its command-line parameters to standard output. +For example: + +
+~~~ +$ echo hello there +~~~ +
+ +prints: + +
+~~~ +hello there +~~~ +
+ +In this case, +since the shell expands `$filename` to be the name of a file, +`echo $filename` just prints the name of the file. +Note that we can't write this as: + +
+~~~ +for filename in *.dat +do + $filename + head -100 $filename | tail -20 +done +~~~ +
+ +because then the first time through the loop, +when `$filename` expanded to `basilisk.dat`, the shell would try to run `basilisk.dat` as a program. +Finally, +the `head` and `tail` combination selects lines 81-100 from whatever file is being processed. + +> #### Spaces in Names +> +> Filename expansion in loops is another reason you should not use spaces in filenames. +> Suppose our data files are named: +> +> ~~~ +> basilisk.dat +> red dragon.dat +> unicorn.dat +> ~~~ +> +> If we try to process them using: +> +> ~~~ +> for filename in *.dat +> do +> head -100 $filename | tail -20 +> done +> ~~~ +> +> then the shell will expand `*.dat` to create: +> +> ~~~ +> basilisk.dat red dragon.dat unicorn.dat +> ~~~ +> +> With older versions of Bash, +> or most other shells, +> `filename` will then be assigned the following values in turn: +> +> ~~~ +> basilisk.dat +> red +> dragon.dat +> unicorn.dat +> ~~~ +> +> That's a problem: `head` can't read files called `red` and `dragon.dat` +> because they don't exist, +> and won't be asked to read the file `red dragon.dat`. +> +> We can make our script a little bit more robust +> by [quoting](../../gloss.html#shell-quoting) our use of the variable: +> +> ~~~ +> for filename in *.dat +> do +> head -100 "$filename" | tail -20 +> done +> ~~~ +> +> but it's simpler just to avoid using spaces (or other special characters) in filenames. + +Going back to our original file renaming problem, +we can solve it using this loop: + +
+~~~ +for filename in *.dat +do + mv $filename original-$filename +done +~~~ +
+ +This loop runs the `mv` command once for each filename. +The first time, +when `$filename` expands to `basilisk.dat`, +the shell executes: + +
+~~~ +mv basilisk.dat original-basilisk.dat +~~~ +
+ +The second time, the command is: + +
+~~~ +mv unicorn.dat original-unicorn.dat +~~~ +
+ +> #### Measure Twice, Run Once +> +> A loop is a way to do many things at once—or to make many mistakes at +> once if it does the wrong thing. One way to check what a loop *would* do +> is to echo the commands it would run instead of actually running them. +> For example, we could write our file renaming loop like this: +> +> ~~~ +> for filename in *.dat +> do +> echo mv $filename original-$filename +> done +> ~~~ +> +> Instead of running `mv`, this loop runs `echo`, which prints out: +> +> ~~~ +> mv basilisk.dat original-basilisk.dat +> mv unicorn.dat original-unicorn.dat +> ~~~ +> +> *without* actually running those commands. We can then use up-arrow to +> redisplay the loop, back-arrow to get to the word `echo`, delete it, and +> then press "enter" to run the loop with the actual `mv` commands. This +> isn't foolproof, but it's a handy way to see what's going to happen when +> you're still learning how loops work. + +#### Nelle's Pipeline: Processing Files + +Nelle is now ready to process her data files. +Since she's still learning how to use the shell, +she decides to build up the required commands in stages. +Her first step is to make sure that she can select the right files—remember, +these are ones whose names end in 'A' or 'B', rather than 'Z': + +
+~~~ +$ cd north-pacific-gyre/2012-07-03 +$ for datafile in *[AB].txt +> do +> echo $datafile +> done +~~~ +
+
+~~~ +NENE01729A.txt +NENE01729B.txt +NENE01736A.txt +... +NENE02043A.txt +NENE02043B.txt +~~~ +
+ +Her next step is to decide +what to call the files that the `goostats` analysis program will create. +Prefixing each input file's name with "stats" seems simple, +so she modifies her loop to do that: + +
+~~~ +$ for datafile in *[AB].txt +> do +> echo $datafile stats-$datafile +> done +~~~ +
+
+~~~ +NENE01729A.txt stats-NENE01729A.txt +NENE01729B.txt stats-NENE01729B.txt +NENE01736A.txt stats-NENE01736A.txt +... +NENE02043A.txt stats-NENE02043A.txt +NENE02043B.txt stats-NENE02043B.txt +~~~ +
+ +She hasn't actually run `goostats` yet, +but now she's sure she can select the right files and generate the right output filenames. + +Typing in commands over and over again is becoming tedious, +though, +and Nelle is worried about making mistakes, +so instead of re-entering her loop, +she presses the up arrow. +In response, +the shell redisplays the whole loop on one line +(using semi-colons to separate the pieces): + +
+~~~ +$ for datafile in *[AB].txt; do echo $datafile stats-$datafile; done +~~~ +
+ +Using the left arrow key, +Nelle backs up and changes the command `echo` to `goostats`: + +
+~~~ +$ for datafile in *[AB].txt; do bash goostats $datafile stats-$datafile; done +~~~ +
+ +When she presses enter, +the shell runs the modified command. +However, nothing appears to happen—there is no output. +After a moment, Nelle realizes that since her script doesn't print anything to the screen any longer, +she has no idea whether it is running, much less how quickly. +She kills the job by typing Control-C, +uses up-arrow to repeat the command, +and edits it to read: + +
+~~~ +$ for datafile in *[AB].txt; do echo $datafile; bash goostats $datafile stats-$datafile; done +~~~ +
+ +> #### Beginning and End +> +> We can move to the beginning of a line in the shell by typing `^A` +> (which means Control-A) +> and to the end using `^E`. + +When she runs her program now, +it produces one line of output every five seconds or so: + +
+~~~ +NENE01729A.txt +NENE01729B.txt +NENE01736A.txt +... +~~~ +
+ +1518 times 5 seconds, +divided by 60, +tells her that her script will take about two hours to run. +As a final check, +she opens another terminal window, +goes into `north-pacific-gyre/2012-07-03`, +and uses `cat stats-NENE01729B.txt` +to examine one of the output files. +It looks good, +so she decides to get some coffee and catch up on her reading. + +> #### Those Who Know History Can Choose to Repeat It +> +> Another way to repeat previous work is to use the `history` command to +> get a list of the last few hundred commands that have been executed, and +> then to use `!123` (where "123" is replaced by the command number) to +> repeat one of those commands. For example, if Nelle types this: +> +> ~~~ +> $ history | tail -5 +> 456 ls -l NENE0*.txt +> 457 rm stats-NENE01729B.txt.txt +> 458 bash goostats NENE01729B.txt stats-NENE01729B.txt +> 459 ls -l NENE0*.txt +> 460 history +> ~~~ +> +> then she can re-run `goostats` on `NENE01729B.txt` simply by typing +> `!458`. + +
+ +#### Key Points +* A `for` loop repeats commands once for every thing in a list. +* Every `for` loop needs a variable to refer to the current "thing". +* Use `$name` to expand a variable (i.e., get its value). +* Do not use spaces, quotes, or wildcard characters such as '*' or '?' in filenames, as it complicates variable expansion. +* Give files consistent names that are easy to match with wildcard patterns to make it easy to select them for looping. +* Use the up-arrow key to scroll up through previous commands to edit and repeat them. +* Use `history` to display recent commands, and `!number` to repeat a command by number. + +
+ +
+ +#### Challenges + +1. Suppose that `ls` initially displays: + + ~~~ + fructose.dat glucose.dat sucrose.dat + ~~~ + + What is the output of: + + ~~~ + for datafile in *.dat + do + ls *.dat + done + ~~~ + +2. In the same directory, what is the effect of this loop? + + ~~~ + for sugar in *.dat + do + echo $sugar + cat $sugar > xylose.dat + done + ~~~ + + 1. Prints `fructose.dat`, `glucose.dat`, and `sucrose.dat`, and + copies `sucrose.dat` to create `xylose.dat`. + 2. Prints `fructose.dat`, `glucose.dat`, and `sucrose.dat`, and + concatenates all three files to create `xylose.dat`. + 3. Prints `fructose.dat`, `glucose.dat`, `sucrose.dat`, and + `xylose.dat`, and copies `sucrose.dat` to create `xylose.dat`. + 4. None of the above. + +3. The `expr` does simple arithmetic using command-line parameters: + + ~~~ + $ expr 3 + 5 + 8 + $ expr 30 / 5 - 2 + 4 + ~~~ + + Given this, what is the output of: + + ~~~ + for left in 2 3 + do + for right in $left + do + expr $left + $right + done + done + ~~~ + +4. Describe in words what the following loop does. + + ~~~ + for how in frog11 prcb redig + do + $how -limit 0.01 NENE01729B.txt + done + ~~~ + +
diff --git a/novice/shell/05-script.md b/novice/shell/05-script.md new file mode 100644 index 0000000..349911d --- /dev/null +++ b/novice/shell/05-script.md @@ -0,0 +1,487 @@ +--- +layout: lesson +root: ../.. +title: Shell Scripts +--- +
+ +#### Objectives +* Write a shell script that runs a command or series of commands for a fixed set of files. +* Run a shell script from the command line. +* Write a shell script that operates on a set of files defined by the user on the command line. +* Create pipelines that include user-written shell scripts. + +
+ +We are finally ready to see what makes the shell such a powerful programming environment. +We are going to take the commands we repeat frequently and save them in files +so that we can re-run all those operations again later by typing a single command. +For historical reasons, +a bunch of commands saved in a file is usually called a [shell script](../../gloss.html#shell-script), +but make no mistake: +these are actually small programs. + +Let's start by putting the following line in the file `middle.sh`: + +
+~~~ +head -20 cholesterol.pdb | tail -5 +~~~ +
+ +This is a variation on the pipe we constructed earlier: +it selects lines 16-20 of the file `cholesterol.pdb`. +Remember, we are *not* running it as a command just yet: +we are putting the commands in a file. + +Once we have saved the file, +we can ask the shell to execute the commands it contains. +Our shell is called `bash`, so we run the following command: + +
+~~~ +$ bash middle.sh +~~~ +
+
+~~~ +ATOM 14 C 1 -1.463 -0.666 1.001 1.00 0.00 +ATOM 15 C 1 0.762 -0.929 0.295 1.00 0.00 +ATOM 16 C 1 0.771 -0.937 1.840 1.00 0.00 +ATOM 17 C 1 -0.664 -0.610 2.293 1.00 0.00 +ATOM 18 C 1 -4.705 2.108 -0.396 1.00 0.00 +~~~ +
+ +Sure enough, +our script's output is exactly what we would get if we ran that pipeline directly. + +> #### Text vs. Whatever +> +> We usually call programs like Microsoft Word or LibreOffice Writer "text +> editors", but we need to be a bit more careful when it comes to +> programming. By default, Microsoft Word uses `.docx` files to store not +> only text, but also formatting information about fonts, headings, and so +> on. This extra information isn't stored as characters, and doesn't mean +> anything to tools like `head`: they expect input files to contain +> nothing but the letters, digits, and punctuation on a standard computer +> keyboard. When editing programs, therefore, you must either use a plain +> text editor, or be careful to save files as plain text. + +What if we want to select lines from an arbitrary file? +We could edit `middle.sh` each time to change the filename, +but that would probably take longer than just retyping the command. +Instead, +let's edit `middle.sh` and replace `cholesterol.pdb` with a special variable called `$1`: + +
+~~~ +$ cat middle.sh +~~~ +
+
+~~~ +head -20 $1 | tail -5 +~~~ +
+ +Inside a shell script, +`$1` means "the first filename (or other parameter) on the command line". +We can now run our script like this: + +
+~~~ +$ bash middle.sh cholesterol.pdb +~~~ +
+
+~~~ +ATOM 14 C 1 -1.463 -0.666 1.001 1.00 0.00 +ATOM 15 C 1 0.762 -0.929 0.295 1.00 0.00 +ATOM 16 C 1 0.771 -0.937 1.840 1.00 0.00 +ATOM 17 C 1 -0.664 -0.610 2.293 1.00 0.00 +ATOM 18 C 1 -4.705 2.108 -0.396 1.00 0.00 +~~~ +
+ +or on a different file like this: + +
+~~~ +$ bash middle.sh vitamin-a.pdb +~~~ +
+
+~~~ +ATOM 14 C 1 1.788 -0.987 -0.861 +ATOM 15 C 1 2.994 -0.265 -0.829 +ATOM 16 C 1 4.237 -0.901 -1.024 +ATOM 17 C 1 5.406 -0.117 -1.087 +ATOM 18 C 1 -0.696 -2.628 -0.641 +~~~ +
+ +We still need to edit `middle.sh` each time we want to adjust the range of lines, +though. +Let's fix that by using the special variables `$2` and `$3`: + +
+~~~ +$ cat middle.sh +~~~ +
+
+~~~ +head $2 $1 | tail $3 +~~~ +
+
+~~~ +$ bash middle.sh vitamin-a.pdb -20 -5 +~~~ +
+
+~~~ +ATOM 14 C 1 1.788 -0.987 -0.861 +ATOM 15 C 1 2.994 -0.265 -0.829 +ATOM 16 C 1 4.237 -0.901 -1.024 +ATOM 17 C 1 5.406 -0.117 -1.087 +ATOM 18 C 1 -0.696 -2.628 -0.641 +~~~ +
+ +This works, +but it may take the next person who reads `middle.sh` a moment to figure out what it does. +We can improve our script by adding some [comments](../../gloss.html#comment) at the top: + +
+~~~ +$ cat middle.sh +~~~ +
+
+~~~ +# Select lines from the middle of a file. +# Usage: middle.sh filename -end_line -num_lines +head $2 $1 | tail $3 +~~~ +
+ +A comment starts with a `#` character and runs to the end of the line. +The computer ignores comments, +but they're invaluable for helping people understand and use scripts. + +What if we want to process many files in a single pipeline? +For example, if we want to sort our `.pdb` files by length, we would type: + +
+~~~ +$ wc -l *.pdb | sort -n +~~~ +
+ +because `wc -l` lists the number of lines in the files +and `sort -n` sorts things numerically. +We could put this in a file, +but then it would only ever sort a list of `.pdb` files in the current directory. +If we want to be able to get a sorted list of other kinds of files, +we need a way to get all those names into the script. +We can't use `$1`, `$2`, and so on +because we don't know how many files there are. +Instead, we use the special variable `$*`, +which means, +"All of the command-line parameters to the shell script." +Here's an example: + +
+~~~ +$ cat sorted.sh +~~~ +
+
+~~~ +wc -l $* | sort -n +~~~ +
+
+~~~ +$ bash sorted.sh *.dat backup/*.dat +~~~ +
+
+~~~ + 29 chloratin.dat + 89 backup/chloratin.dat + 91 sphagnoi.dat + 156 sphag2.dat + 172 backup/sphag-merged.dat + 182 girmanis.dat +~~~ +
+ +> #### Why Isn't It Doing Anything? +> +> What happens if a script is supposed to process a bunch of files, but we +> don't give it any filenames? For example, what if we type: +> +> $ bash sorted.sh +> +> but don't say `*.dat` (or anything else)? In this case, `$*` expands to +> nothing at all, so the pipeline inside the script is effectively: +> +> wc -l | sort -n +> +> Since it doesn't have any filenames, `wc` assumes it is supposed to +> process standard input, so it just sits there and waits for us to give +> it some data interactively. From the outside, though, all we see is it +> sitting there: the script doesn't appear to do anything. + +We have two more things to do before we're finished with our simple shell scripts. +If you look at a script like: + +
+~~~ +wc -l $* | sort -n +~~~ +
+ +you can probably puzzle out what it does. +On the other hand, +if you look at this script: + +
+~~~ +# List files sorted by number of lines. +wc -l $* | sort -n +~~~ +
+ +you don't have to puzzle it out—the comment at the top tells you what it does. +A line or two of documentation like this make it much easier for other people +(including your future self) +to re-use your work. +The only caveat is that each time you modify the script, +you should check that the comment is still accurate: +an explanation that sends the reader in the wrong direction is worse than none at all. + +Second, +suppose we have just run a series of commands that did something useful—for example, +that created a graph we'd like to use in a paper. +We'd like to be able to re-create the graph later if we need to, +so we want to save the commands in a file. +Instead of typing them in again +(and potentially getting them wrong) +we can do this: + +
+~~~ +$ history | tail -4 > redo-figure-3.sh +~~~ +
+ +The file `redo-figure-3.sh` now contains: + +
+~~~ +297 goostats -r NENE01729B.txt stats-NENE01729B.txt +298 goodiff stats-NENE01729B.txt /data/validated/01729.txt > 01729-differences.txt +299 cut -d ',' -f 2-3 01729-differences.txt > 01729-time-series.txt +300 ygraph --format scatter --color bw --borders none 01729-time-series.txt figure-3.png +~~~ +
+ +After a moment's work in an editor to remove the serial numbers on the commands, +we have a completely accurate record of how we created that figure. + +> #### Unnumbering +> +> Nelle could also use `colrm` (short for "column removal") to remove the +> serial numbers on her previous commands. +> Its parameters are the range of characters to strip from its input: +> +> ~~~ +> $ history | tail -5 +> 173 cd /tmp +> 174 ls +> 175 mkdir bakup +> 176 mv bakup backup +> 177 history | tail -5 +> $ history | tail -5 | colrm 1 7 +> cd /tmp +> ls +> mkdir bakup +> mv bakup backup +> history | tail -5 +> history | tail -5 | colrm 1 7 +> ~~~ + +In practice, most people develop shell scripts by running commands at the shell prompt a few times +to make sure they're doing the right thing, +then saving them in a file for re-use. +This style of work allows people to recycle +what they discover about their data and their workflow with one call to `history` +and a bit of editing to clean up the output +and save it as a shell script. + +#### Nelle's Pipeline: Creating a Script + +An off-hand comment from her supervisor has made Nelle realize that +she should have provided a couple of extra parameters to `goostats` when she processed her files. +This might have been a disaster if she had done all the analysis by hand, +but thanks to for loops, +it will only take a couple of hours to re-do. + +But experience has taught her that if something needs to be done twice, +it will probably need to be done a third or fourth time as well. +She runs the editor and writes the following: + +
+~~~ +# Calculate reduced stats for data files at J = 100 c/bp. +for datafile in $* +do + echo $datafile + goostats -J 100 -r $datafile stats-$datafile +done +~~~ +
+ +(The parameters `-J 100` and `-r` are the ones her supervisor said she should have used.) +She saves this in a file called `do-stats.sh` +so that she can now re-do the first stage of her analysis by typing: + +
+~~~ +$ bash do-stats.sh *[AB].txt +~~~ +
+ +She can also do this: + +
+~~~ +$ bash do-stats.sh *[AB].txt | wc -l +~~~ +
+ +so that the output is just the number of files processed +rather than the names of the files that were processed. + +One thing to note about Nelle's script is that +it lets the person running it decide what files to process. +She could have written it as: + +
+~~~ +# Calculate reduced stats for A and Site B data files at J = 100 c/bp. +for datafile in *[AB].txt +do + echo $datafile + goostats -J 100 -r $datafile stats-$datafile +done +~~~ +
+ +The advantage is that this always selects the right files: +she doesn't have to remember to exclude the 'Z' files. +The disadvantage is that it *always* selects just those files—she can't run it on all files +(including the 'Z' files), +or on the 'G' or 'H' files her colleagues in Antarctica are producing, +without editing the script. +If she wanted to be more adventurous, +she could modify her script to check for command-line parameters, +and use `*[AB].txt` if none were provided. +Of course, this introduces another tradeoff between flexibility and complexity. + +
+ +#### Key Points +* Save commands in files (usually called shell scripts) for re-use. +* `bash filename` runs the commands saved in a file. +* `$*` refers to all of a shell script's command-line parameters. +* `$1`, `$2`, etc., refer to specified command-line parameters. +* Letting users decide what files to process is more flexible and more consistent with built-in Unix commands. + +
+ +
+ +#### Challenges + +1. Leah has several hundred data files, each of which is formatted like this: + + ~~~ + 2013-11-05,deer,5 + 2013-11-05,rabbit,22 + 2013-11-05,raccoon,7 + 2013-11-06,rabbit,19 + 2013-11-06,deer,2 + 2013-11-06,fox,1 + 2013-11-07,rabbit,18 + 2013-11-07,bear,1 + ~~~ + + Write a shell script called `species.sh` that takes any number of + filenames as command-line parameters, and uses `cut`, `sort`, and + `uniq` to print a list of the unique species appearing in each of + those files separately. + +2. Write a shell script called `longest.sh` that takes the name of a + directory and a filename extension as its parameters, and prints out + the name of the most recently modified file in that directory with + that extension. For example: + + ~~~ + $ bash largest.sh /tmp/data pdb + ~~~ + + would print the name of the `.pdb` file in `/tmp/data` that has been + changed most recently. + +3. If you run the command: + + ~~~ + history | tail -5 > recent.sh + ~~~ + + the last command in the file is the `history` command itself, i.e., + the shell has added `history` to the command log before actually + running it. In fact, the shell *always* adds commands to the log + before running them. Why do you think it does this? + +4. Joel's `data` directory contains three files: `fructose.dat`, + `glucose.dat`, and `sucrose.dat`. Explain what a script called + `example.sh` would when run as `bash example.sh *.dat` + if it contained the following lines: + + + + + + + + + + + + + + +
1. +
+echo *.*
+
+
2. +
+for filename in $1 $2 $3
+do
+    cat $filename
+done
+
+
3. +
+echo $*.dat
+
+
+ +
diff --git a/novice/shell/06-find.md b/novice/shell/06-find.md new file mode 100644 index 0000000..506c9a9 --- /dev/null +++ b/novice/shell/06-find.md @@ -0,0 +1,506 @@ +--- +layout: lesson +root: ../.. +title: Finding Things +--- +
+ +#### Objectives +* Use `grep` to select lines from text files that match simple patterns. +* Use `find` to find files whose names match simple patterns. +* Use the output of one command as the command-line parameters to another command. +* Explain what is meant by "text" and "binary" files, and why many common tools don't handle the latter well. + +
+ +You can guess someone's age by how they talk about search: +young people use "Google" as a verb, +while crusty old Unix programmers use "grep". +The word is a contraction of "global/regular expression/print", +a common sequence of operations in early Unix text editors. +It is also the name of a very useful command-line program. + +`grep` finds and prints lines in files that match a pattern. +For our examples, +we will use a file that contains three haikus taken from a +1998 competition in *Salon* magazine: + +
+~~~ +$ cat haiku.txt +~~~ +
+
+~~~ +The Tao that is seen +Is not the true Tao, until +You bring fresh toner. + +With searching comes loss +and the presence of absence: +"My Thesis" not found. + +Yesterday it worked +Today it is not working +Software is like that. +~~~ +
+ +> #### Forever, or Five Years +> +> We haven't linked to the original haikus because they don't appear to be on *Salon*'s site any longer. +> As [Jeff Rothenberg said](http://www.clir.org/pubs/archives/ensuring.pdf), +> "Digital information lasts forever—or five years, whichever comes first." + +Let's find lines that contain the word "not": + +
+~~~ +$ grep not haiku.txt +~~~ +
+
+~~~ +Is not the true Tao, until +"My Thesis" not found +Today it is not working +~~~ +
+ +Here, `not` is the pattern we're searching for. +It's pretty simple: +every alphanumeric character matches against itself. +After the pattern comes the name or names of the files we're searching in. +The output is the three lines in the file that contain the letters "not". + +Let's try a different pattern: "day". + +
+~~~ +$ grep day haiku.txt +~~~ +
+
+~~~ +Yesterday it worked +Today it is not working +~~~ +
+ +This time, +the output is lines containing the words "Yesterday" and "Today", +which both have the letters "day". +If we give `grep` the `-w` flag, +it restricts matches to word boundaries, +so that only lines with the word "day" will be printed: + +
+~~~ +$ grep -w day haiku.txt +~~~ +
+ +In this case, there aren't any, so `grep`'s output is empty. + +Another useful option is `-n`, which numbers the lines that match: + +
+~~~ +$ grep -n it haiku.txt +~~~ +
+
+~~~ +5:With searching comes loss +9:Yesterday it worked +10:Today it is not working +~~~ +
+ +Here, we can see that lines 5, 9, and 10 contain the letters "it". + +We can combine flags as we do with other Unix commands. +For example, +since `-i` makes matching case-insensitive and `-v` inverts the match, +using them both only prints lines that *don't* match the pattern +in any mix of upper and lower case: + +
+~~~ +$ grep -i -v the haiku.txt +~~~ +
+
+~~~ +You bring fresh toner. + +With searching comes loss + +Yesterday it worked +Today it is not working +Software is like that. +~~~ +
+ +`grep` has lots of other options. +To find out what they are, we can type `man grep`. +`man` is the Unix "manual" command: +it prints a description of a command and its options, +and (if you're lucky) provides a few examples of how to use it: + +
+~~~ +$ man grep +~~~ +
+
+~~~ +GREP(1) GREP(1) + +NAME +grep, egrep, fgrep - print lines matching a pattern + +SYNOPSIS +grep [OPTIONS] PATTERN [FILE...] +grep [OPTIONS] [-e PATTERN | -f FILE] [FILE...] + +DESCRIPTION +grep searches the named input FILEs (or standard input if no files are named, or if a single hyphen- +minus (-) is given as file name) for lines containing a match to the given PATTERN. By default, grep +prints the matching lines. +... ... ... + +OPTIONS +Generic Program Information +--help Print a usage message briefly summarizing these command-line options and the bug-reporting +address, then exit. + +-V, --version +Print the version number of grep to the standard output stream. This version number should be +included in all bug reports (see below). + +Matcher Selection +-E, --extended-regexp +Interpret PATTERN as an extended regular expression (ERE, see below). (-E is specified by +POSIX.) + +-F, --fixed-strings +Interpret PATTERN as a list of fixed strings, separated by newlines, any of which is to be +matched. (-F is specified by POSIX.) +... ... ... +~~~ +
+ +> #### Wildcards +> +> `grep`'s real power doesn't come from its options, though; it comes from +> the fact that patterns can include wildcards. (The technical name for +> these is [regular expressions](../../gloss.html#regular-expression), which +> is what the "re" in "grep" stands for.) Regular expressions are both complex +> and powerful; if you want to do complex searches, please look at the lesson +> on [our website](http://software-carpentry.org). As a taster, we can +> find lines that have an 'o' in the second position like this: +> +> $ grep -E '^.o' haiku.txt +> You bring fresh toner. +> Today it is not working +> Software is like that. +> +> We use the `-E` flag and put the pattern in quotes to prevent the shell +> from trying to interpret it. (If the pattern contained a '\*', for +> example, the shell would try to expand it before running `grep`.) The +> '\^' in the pattern anchors the match to the start of the line. The '.' +> matches a single character (just like '?' in the shell), while the 'o' +> matches an actual 'o'. + +While `grep` finds lines in files, +the `find` command finds files themselves. +Again, +it has a lot of options; +to show how the simplest ones work, we'll use the directory tree shown below. + +File Tree for Find Example + +Vlad's home directory contains one file called `notes.txt` and four subdirectories: +`thesis` (which is sadly empty), +`data` (which contains two files `one.txt` and `two.txt`), +a `tools` directory that contains the programs `format` and `stats`, +and an empty subdirectory called `old`. + +For our first command, +let's run `find . -type d -print`. +As always, +the `.` on its own means the current working directory, +which is where we want our search to start; +`-type d` means "things that are directories", +and (unsurprisingly) `-print` means "print what's found". +Sure enough, +`find`'s output is the names of the five directories in our little tree +(including `.`): + +
+~~~ +$ find . -type d -print +~~~ +
+
+~~~ +./ +./data +./thesis +./tools +./tools/old +~~~ +
+ +If we change `-type d` to `-type f`, +we get a listing of all the files instead: + +
+~~~ +$ find . -type f -print +~~~ +
+
+~~~ +./data/one.txt +./data/two.txt +./notes.txt +./tools/format +./tools/stats +~~~ +
+ +`find` automatically goes into subdirectories, +their subdirectories, +and so on to find everything that matches the pattern we've given it. +If we don't want it to, +we can use `-maxdepth` to restrict the depth of search: + +
+~~~ +$ find . -maxdepth 1 -type f -print +~~~ +
+
+~~~ +./notes.txt +~~~ +
+ +The opposite of `-maxdepth` is `-mindepth`, +which tells `find` to only report things that are at or below a certain depth. +`-mindepth 2` therefore finds all the files that are two or more levels below us: + +
+~~~ +$ find . -mindepth 2 -type f -print +~~~ +
+
+~~~ +./data/one.txt +./data/two.txt +./tools/format +./tools/stats +~~~ +
+ +Another option is `-empty`, +which restricts matches to empty files and directories: + +
+~~~ +$ find . -empty -print +~~~ +
+
+~~~ +./thesis +./tools/old +~~~ +
+ +Now let's try matching by name: + +
+~~~ +$ find . -name *.txt -print +~~~ +
+
+~~~ +./notes.txt +~~~ +
+ +We expected it to find all the text files, +but it only prints out `./notes.txt`. +The problem is that the shell expands wildcard characters like `*` *before* commands run. +Since `*.txt` in the current directory expands to `notes.txt`, +the command we actually ran was: + +
+~~~ +$ find . -name notes.txt -print +~~~ +
+ +`find` did what we asked; we just asked for the wrong thing. + +To get what we want, +let's do what we did with `grep`: +put `*.txt` in single quotes to prevent the shell from expanding the `*` wildcard. +This way, +`find` actually gets the pattern `*.txt`, not the expanded filename `notes.txt`: + +
+~~~ +$ find . -name '*.txt' -print +~~~ +
+
+~~~ +./data/one.txt +./data/two.txt +./notes.txt +~~~ +
+ +> #### Listing vs. Finding +> +> `ls` and `find` can be made to do similar things given the right options, +> but under normal circumstances, +> `ls` lists everything it can, +> while `find` searches for things with certain properties and shows them. + +As we said earlier, +the command line's power lies in combining tools. +We've seen how to do that with pipes; +let's look at another technique. +As we just saw, +`find . -name '*.txt' -print` gives us a list of all text files in or below the current directory. +How can we combine that with `wc -l` to count the lines in all those files? + +The simplest way is to put the `find` command inside `$()`: + +
+~~~ +$ wc -l $(find . -name '*.txt' -print) +~~~ +
+
+~~~ +70 ./data/one.txt +420 ./data/two.txt +30 ./notes.txt +520 total +~~~ +
+ +When the shell executes this command, +the first thing it does is run whatever is inside the `$()`. +It then replaces the `$()` expression with that command's output. +Since the output of `find` is the three filenames `./data/one.txt`, `./data/two.txt`, and `./notes.txt`, +the shell constructs the command: + +
+~~~ +$ wc -l ./data/one.txt ./data/two.txt ./notes.txt +~~~ +
+ +which is what we wanted. +This expansion is exactly what the shell does when it expands wildcards like `*` and `?`, +but lets us use any command we want as our own "wildcard". + +It's very common to use `find` and `grep` together. +The first finds files that match a pattern; +the second looks for lines inside those files that match another pattern. +Here, for example, we can find PDB files that contain iron atoms +by looking for the string "FE" in all the `.pdb` files below the current directory: + +
+~~~ +$ grep FE $(find . -name '*.pdb' -print) +~~~ +
+
+~~~ +./human/heme.pdb:ATOM 25 FE 1 -0.924 0.535 -0.518 +~~~ +
+ +> #### Binary Files +> +> We have focused exclusively on finding things in text files. What if +> your data is stored as images, in databases, or in some other format? +> One option would be to extend tools like `grep` to handle those formats. +> This hasn't happened, and probably won't, because there are too many +> formats to support. +> +> The second option is to convert the data to text, or extract the +> text-ish bits from the data. This is probably the most common approach, +> since it only requires people to build one tool per data format (to +> extract information). On the one hand, it makes simple things easy to +> do. On the negative side, complex things are usually impossible. For +> example, it's easy enough to write a program that will extract X and Y +> dimensions from image files for `grep` to play with, but how would you +> write something to find values in a spreadsheet whose cells contained +> formulas? +> +> The third choice is to recognize that the shell and text processing have +> their limits, and to use a programming language such as Python instead. +> When the time comes to do this, don't be too hard on the shell: many +> modern programming languages, Python included, have borrowed a lot of +> ideas from it, and imitation is also the sincerest form of praise. + +#### Conclusion + +The Unix shell is older than most of the people who use it. It has +survived so long because it is one of the most productive programming +environments ever created—maybe even *the* most productive. Its syntax +may be cryptic, but people who have mastered it can experiment with +different commands interactively, then use what they have learned to +automate their work. Graphical user interfaces may be better at the +first, but the shell is still unbeaten at the second. And as Alfred +North Whitehead wrote in 1911, "Civilization advances by extending the +number of important operations which we can perform without thinking +about them." + +
+ +#### Key Points +* Use `find` to find files and directories, and `grep` to find text patterns in files. +* `$(command)` inserts a command's output in place. +* `man command` displays the manual page for a given command. + +
+ +
+ +#### Challenges + +1. Write a short explanatory comment for the following shell script: + +
+ ~~~ + find . -name '*.dat' -print | wc -l | sort -n + ~~~ +
+ +2. The `-v` flag to `grep` inverts pattern matching, so that only lines + which do *not* match the pattern are printed. Given that, which of + the following commands will find all files in `/data` whose names + end in `ose.dat` (e.g., `sucrose.dat` or `maltose.dat`), but do + *not* contain the word `temp`? + + 1. `find /data -name '*.dat' -print | grep ose | grep -v temp` + + 2. `find /data -name ose.dat -print | grep -v temp` + + 3. `grep -v temp $(find /data -name '*ose.dat' -print)` + + 4. None of the above. + +
diff --git a/novice/shell/README.txt b/novice/shell/README.txt new file mode 100644 index 0000000..52832b4 --- /dev/null +++ b/novice/shell/README.txt @@ -0,0 +1,7 @@ +# Resources + +* `filesystem`: filesystem used in "Files and Directories" +* `creatures`: DNA data used in "Loops" +* `finding`: data using in "Finding Things" +* `molecules`: PDB files used in "Pipes and Filters" +* `scripting`: files and directories used in "Shell Scripts" diff --git a/novice/shell/creatures/basilisk.dat b/novice/shell/creatures/basilisk.dat new file mode 100644 index 0000000..ed944d8 --- /dev/null +++ b/novice/shell/creatures/basilisk.dat @@ -0,0 +1,163 @@ +COMMON NAME: basilisk +CLASSIFICATION: basiliscus vulgaris +UPDATED: 1745-05-02 +CCCCAACGAG +GAAACAGATC +ATTAGAAGAT +CTGTCGCGAA +CCGCACCTCT +CCTATCTACA +TGTTTGTCTC +TGGGTGGGGA +TCCATAGGCA +GCATTACCAG +CACCCTACGA +TAAGGACTTC +CGTCAGAGAT +TTCCTGGTAT +TATACAGCTC +CTAGTGTTAT +CCAGTTTGTG +TCGTCCCATA +GCCAGCAAGA +GCCAAACAAA +AGCCGGGTCG +CTTTACCTTA +AAGCCGAGGG +GGGTGGTACG +CCGAACATAA +ACGCTTTAAC +GTCCCTCCAG +GCTGATAATC +GTTTAAGCAC +ACGTGGTCTA +GAGTTGCGCT +TACCGGACAA +ACCTGCGCGT +TGAAAGGGTT +ACGCCTGGTA +CGAAATAAGA +CGAACCCCAG +GACCCAGCAG +ACAAAGGAAC +GTGCTAGGCC +CATATAATCA +GGTAGATCGA +TCTCTCTCCT +AAGTTGTGGT +CAAACAGGCG +CGCGCTAGTT +GGGTATGCCC +GCCCAATAAC +TGGTGGGGCC +TGTGTGTAAA +CTTCGATCAA +TTTTGCAATT +TATGTGCAGC +TAACTGAATA +TGTGATGTGT +TGGAACCCGG +ACTTCCTTTA +CATTTCGCGC +CCTAGTGTTT +CAAGCGTCGC +TGAGGTTATG +ATTTATAGGA +CACACTCAGC +CGCGAACACA +CAGTGTCATG +ACTAAGTAGA +ATCACCCATA +TTCTCGTTAG +TGCGATTGTA +CCGCTTGAAC +CTCGTATGCC +TGGACCCGCT +TCGATTTACA +GCAATTCGAC +TGGTGGTGAT +TAACTTGAAG +GATATGGTTT +CGGTACCGAA +AAGGGTCGCG +CAAGTGTTCC +CGGGACAATA +GTTCTGCTAA +GATAAGTATG +TGCCGACTTA +CCCGACCGTC +TAGGTTATAA +GGCACAACCG +CTTCACTGTA +GAGGTGTACA +AGGATCCGTT +GCGCGGGCGG +CAGTCTATGT +TTTTCGACAC +TGGACTGCTT +CCCTTTGAGG +GTGGATTTTT +CGTAACGGGT +GAGTCCCTTG +TGATTCCAGA +CACGGGTTGC +CGGGCGCTAC +CCGCCGACGC +CAGGCTTGGC +AAGAGCGGTA +TAAGGGCTCG +CTACCACTTG +TACTAGACTG +ATTTGCGGAC +GGTAGTAGCG +CGGTGATCCC +TATCATACGG +GGTTTGGTGT +ATGAGCCCTG +CTGTCTTTTC +TAGCGTACCA +CAGATTGAAC +TCCTCTTCTC +GCGTTTCAGC +GGTTAAAATT +GCGATCCTCT +CAGACCTTTG +GTTGCCTTCG +GTCCTTCCAC +GCCTTCCTAT +GATAGTAGCC +TCACCTTCCA +TCTCAAATCC +CTCCCGCGAC +CTTTGATTGT +ACCGTTCAAG +CCCTGACATA +CCCACTCAAT +ATTGACCCCT +GCCGTATAGA +CGTTGTCGGG +ATAGCCAGAA +CCAGTACTCT +CTATCGGAAG +CGTGACAGGC +CCAAATACCT +CGTTTAAAGC +TGGACGCATC +ACACTTGCTT +GACTAACAGA +GTGCTGGCCC +GTGTTATTCA +GCTAATGCAT +CATGGGATCA +GACGCCTGTA +TATACAATTT +TCAACTGCTC +GAACTACTCG +CCAAAACACT +TTCGACTAGG +CGATCGACCA +AGAAAAGAGA +CTGGACTGCT +TACAGAGGTT +TGAACTTTAC +CGCGCCCACC diff --git a/novice/shell/creatures/unicorn.dat b/novice/shell/creatures/unicorn.dat new file mode 100644 index 0000000..a9b027e --- /dev/null +++ b/novice/shell/creatures/unicorn.dat @@ -0,0 +1,163 @@ +COMMON NAME: unicorn +CLASSIFICATION: equus monoceros +UPDATED: 1738-11-24 +AGCCGGGTCG +CTTTACCTTA +AAGCCGAGGG +GGGTGGTACG +CCGAACATAA +ACGCTTTAAC +GTCCCTCCAG +GCTGATAATC +GTTTAAGCAC +ACGTGGTCTA +GAGTTGCGCT +TACCGGACAA +ACCTGCGCGT +TGAAAGGGTT +ACGCCTGGTA +CGAAATAAGA +CGAACCCCAG +GACCCAGCAG +ACAAAGGAAC +GTGCTAGGCC +AGCCGGGTCG +CTTTACCTTA +AAGCCGAGGG +GGGTGGTACG +CCGAACATAA +ACGCTTTAAC +GTCCCTCCAG +GCTGATAATC +GTTTAAGCAC +ACGTGGTCTA +GAGTTGCGCT +TACCGGACAA +ACCTGCGCGT +TGAAAGGGTT +ACGCCTGGTA +CGAAATAAGA +CGAACCCCAG +GACCCAGCAG +ACAAAGGAAC +GTGCTAGGCC +CATATAATCA +GGTAGATCGA +TCTCTCTCCT +AAGTTGTGGT +CAAACAGGCG +CGCGCTAGTT +GGGTATGCCC +GCCCAATAAC +TGGTGGGGCC +TGTGTGTAAA +CTTCGATCAA +TTTTGCAATT +TATGTGCAGC +TAACTGAATA +TGTGATGTGT +TGGAACCCGG +ACTTCCTTTA +CATTTCGCGC +CCTAGTGTTT +CAAGCGTCGC +TGAGGTTATG +ATTTATAGGA +CACACTCAGC +CGCGAACACA +CAGTGTCATG +ACTAAGTAGA +ATCACCCATA +TTCTCGTTAG +TGCGATTGTA +CCGCTTGAAC +CTCGTATGCC +TGGACCCGCT +TCGATTTACA +GCAATTCGAC +TGGTGGTGAT +TAACTTGAAG +GATATGGTTT +CGGTACCGAA +AAGGGTCGCG +CAAGTGTTCC +CGGGACAATA +GTTCTGCTAA +GATAAGTATG +TGCCGACTTA +CCCGACCGTC +TAGGTTATAA +GGCACAACCG +CTTCACTGTA +GAGGTGTACA +AGGATCCGTT +GCGCGGGCGG +CAGTCTATGT +TTTTCGACAC +TGGACTGCTT +CCCTTTGAGG +GTGGATTTTT +CGTAACGGGT +GAGTCCCTTG +TGATTCCAGA +CACGGGTTGC +CGGGCGCTAC +CCGCCGACGC +CAGGCTTGGC +AAGAGCGGTA +TAAGGGCTCG +CTACCACTTG +TACTAGACTG +ATTTGCGGAC +GGTAGTAGCG +CGGTGATCCC +TATCATACGG +GGTTTGGTGT +ATGAGCCCTG +CTGTCTTTTC +TAGCGTACCA +CAGATTGAAC +TCCTCTTCTC +GCGTTTCAGC +GGTTAAAATT +GCGATCCTCT +CAGACCTTTG +GTTGCCTTCG +GTCCTTCCAC +GCCTTCCTAT +GATAGTAGCC +TCACCTTCCA +TCTCAAATCC +CTCCCGCGAC +CTTTGATTGT +ACCGTTCAAG +CCCTGACATA +CCCACTCAAT +ATTGACCCCT +GCCGTATAGA +CGTTGTCGGG +ATAGCCAGAA +CCAGTACTCT +CTATCGGAAG +CGTGACAGGC +CCAAATACCT +CGTTTAAAGC +TGGACGCATC +ACACTTGCTT +GACTAACAGA +GTGCTGGCCC +GTGTTATTCA +GCTAATGCAT +CATGGGATCA +GACGCCTGTA +TATACAATTT +TCAACTGCTC +GAACTACTCG +CCAAAACACT +TTCGACTAGG +CGATCGACCA +AGAAAAGAGA +CTGGACTGCT +TACAGAGGTT +TGAACTTTAC +CGCGCCCACC diff --git a/novice/shell/filesystem/data/access.log b/novice/shell/filesystem/data/access.log new file mode 100644 index 0000000..d6249e7 --- /dev/null +++ b/novice/shell/filesystem/data/access.log @@ -0,0 +1 @@ +Access forbidden. diff --git a/novice/shell/filesystem/data/hardware.cfg b/novice/shell/filesystem/data/hardware.cfg new file mode 100644 index 0000000..551914b --- /dev/null +++ b/novice/shell/filesystem/data/hardware.cfg @@ -0,0 +1,2 @@ +offset: off +color: off diff --git a/novice/shell/filesystem/data/network.cfg b/novice/shell/filesystem/data/network.cfg new file mode 100644 index 0000000..42d6e04 --- /dev/null +++ b/novice/shell/filesystem/data/network.cfg @@ -0,0 +1 @@ +speed: high diff --git a/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/NENE01729A.txt b/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/NENE01729A.txt new file mode 100644 index 0000000..873111e --- /dev/null +++ b/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/NENE01729A.txt @@ -0,0 +1,300 @@ +1.03150932862 +1.44755225695 +0.224455411571 +0.0167349533093 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index 0000000..0335ccb --- /dev/null +++ b/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/goodiff @@ -0,0 +1,8 @@ +# difference of two input files +# demo version, just return a random number or "files are identical" +if [ "$1" == "$2" ] +then + echo "files are identical" +else + echo 0.$RANDOM +fi diff --git a/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/goostats b/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/goostats new file mode 100644 index 0000000..3c64134 --- /dev/null +++ b/novice/shell/filesystem/users/nelle/north-pacific-gyre/2012-07-03/goostats @@ -0,0 +1,2 @@ +sleep 2 +head -3 $1 | cut -d , -f 1 | sort | uniq > $2 diff --git a/novice/shell/filesystem/users/vlad/data/amino-acids.txt b/novice/shell/filesystem/users/vlad/data/amino-acids.txt new file mode 100644 index 0000000..3e749f5 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/amino-acids.txt @@ -0,0 +1,20 @@ +Alanine Ala +Arginine Arg +Asparagine Asn +Aspartic acid Asp +Cysteine Cys +Glutamic acid Glu +Glutamine Gln +Glycine Gly +Histidine His +Isoleucine Ile +Leucine Leu +Lysine Lys +Methionine Met +Phenylalanine Phe +Proline Pro +Serine Ser +Threonine Thr +Tryptophan Trp +Tyrosine Tyr +Valine Val diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ac.xml b/novice/shell/filesystem/users/vlad/data/elements/Ac.xml new file mode 100644 index 0000000..9656ebe --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ac.xml @@ -0,0 +1,8 @@ + + Ac + 89 + 227.0278 + solid, metal + 1320 + 3470 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ag.xml b/novice/shell/filesystem/users/vlad/data/elements/Ag.xml new file mode 100644 index 0000000..6920118 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ag.xml @@ -0,0 +1,9 @@ + + Ag + 47 + 107.8682 + +1 + solid, metal + 1235.1 + 2485 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Al.xml b/novice/shell/filesystem/users/vlad/data/elements/Al.xml new file mode 100644 index 0000000..d7b81fb --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Al.xml @@ -0,0 +1,9 @@ + + Al + 13 + 26.981539 + +3 + solid, metal + 933.5 + 2740 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Am.xml b/novice/shell/filesystem/users/vlad/data/elements/Am.xml new file mode 100644 index 0000000..ceddb90 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Am.xml @@ -0,0 +1,9 @@ + + Am + 95 + 243.0614 + +3, +4, +5, +6 + solid, metal + 1267 + 2880 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ar.xml b/novice/shell/filesystem/users/vlad/data/elements/Ar.xml new file mode 100644 index 0000000..bd94ef5 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ar.xml @@ -0,0 +1,9 @@ + + Ar + 18 + 39.948 + 0 + gas, nonmetal + 83.8 + 87.3 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/As.xml b/novice/shell/filesystem/users/vlad/data/elements/As.xml new file mode 100644 index 0000000..6b4e2cd --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/As.xml @@ -0,0 +1,9 @@ + + As + 33 + 74.92159 + +3,+5,-3 + solid, metalloid + 1090 + 889 (sub) + diff --git a/novice/shell/filesystem/users/vlad/data/elements/At.xml b/novice/shell/filesystem/users/vlad/data/elements/At.xml new file mode 100644 index 0000000..c7846e4 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/At.xml @@ -0,0 +1,8 @@ + + At + 85 + 209.9871 + solid + 575 + 610 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Au.xml b/novice/shell/filesystem/users/vlad/data/elements/Au.xml new file mode 100644 index 0000000..5ec6678 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Au.xml @@ -0,0 +1,9 @@ + + Au + 79 + 196.96654 + +1,+3 + solid + 1337.58 + 3080 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/B.xml b/novice/shell/filesystem/users/vlad/data/elements/B.xml new file mode 100644 index 0000000..0c28ae7 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/B.xml @@ -0,0 +1,9 @@ + + B + 5 + 10.811 + +3 + solid, metalloid + 2573 + 3931 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ba.xml b/novice/shell/filesystem/users/vlad/data/elements/Ba.xml new file mode 100644 index 0000000..63a1394 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ba.xml @@ -0,0 +1,9 @@ + + Ba + 56 + 137.327 + +2 + solid + 1002 + 1910 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Be.xml b/novice/shell/filesystem/users/vlad/data/elements/Be.xml new file mode 100644 index 0000000..3756074 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Be.xml @@ -0,0 +1,9 @@ + + Be + 4 + 9.01218 + +2 + solid, metal + 1551 + 3243 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Bi.xml b/novice/shell/filesystem/users/vlad/data/elements/Bi.xml new file mode 100644 index 0000000..5090175 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Bi.xml @@ -0,0 +1,9 @@ + + Bi + 83 + 208.98037 + +3,+5 + solid + 544.5 + 1883 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Bk.xml b/novice/shell/filesystem/users/vlad/data/elements/Bk.xml new file mode 100644 index 0000000..ab5697a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Bk.xml @@ -0,0 +1,7 @@ + + Bk + 97 + 247.0703 + +3, +4 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Br.xml b/novice/shell/filesystem/users/vlad/data/elements/Br.xml new file mode 100644 index 0000000..4942ec7 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Br.xml @@ -0,0 +1,9 @@ + + Br + 35 + 79.904 + +1,+5,-1 + liquid, nonmetal + 265.9 + 331.9 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/C.xml b/novice/shell/filesystem/users/vlad/data/elements/C.xml new file mode 100644 index 0000000..aed5864 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/C.xml @@ -0,0 +1,9 @@ + + C + 6 + 12.011 + +2, +4, -4 + solid, nonmetal + 3820 + 5100 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ca.xml b/novice/shell/filesystem/users/vlad/data/elements/Ca.xml new file mode 100644 index 0000000..bc60f22 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ca.xml @@ -0,0 +1,9 @@ + + Ca + 20 + 40.078 + +2 + solid, metal + 1112 + 1757 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cd.xml b/novice/shell/filesystem/users/vlad/data/elements/Cd.xml new file mode 100644 index 0000000..01d1ace --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cd.xml @@ -0,0 +1,9 @@ + + Cd + 48 + 112.411 + +2 + solid, metal + 594.1 + 1038 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ce.xml b/novice/shell/filesystem/users/vlad/data/elements/Ce.xml new file mode 100644 index 0000000..aeef80a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ce.xml @@ -0,0 +1,9 @@ + + Ce + 58 + 140.115 + +3, +4 + solid, metal + 1072 + 3699 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cf.xml b/novice/shell/filesystem/users/vlad/data/elements/Cf.xml new file mode 100644 index 0000000..73abeda --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cf.xml @@ -0,0 +1,7 @@ + + Cf + 98 + 251.0796 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cl.xml b/novice/shell/filesystem/users/vlad/data/elements/Cl.xml new file mode 100644 index 0000000..8ff646d --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cl.xml @@ -0,0 +1,9 @@ + + Cl + 17 + 35.4527 + +1,+5,+7,-1 + gas, nonmetal + 172.2 + 238.6 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cm.xml b/novice/shell/filesystem/users/vlad/data/elements/Cm.xml new file mode 100644 index 0000000..09db036 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cm.xml @@ -0,0 +1,7 @@ + + Cm + 96 + 247.0703 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Co.xml b/novice/shell/filesystem/users/vlad/data/elements/Co.xml new file mode 100644 index 0000000..8a4cb05 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Co.xml @@ -0,0 +1,9 @@ + + Co + 27 + 58.9332 + +2,+3 + solid, metal + 1768 + 3143 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cr.xml b/novice/shell/filesystem/users/vlad/data/elements/Cr.xml new file mode 100644 index 0000000..246fbbc --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cr.xml @@ -0,0 +1,9 @@ + + Cr + 24 + 51.9961 + +2,+3,+6 + solid, metal + 2130 + 2945 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cs.xml b/novice/shell/filesystem/users/vlad/data/elements/Cs.xml new file mode 100644 index 0000000..43ef362 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cs.xml @@ -0,0 +1,9 @@ + + Cs + 55 + 132.90543 + +1 + solid + 301.6 + 951.6 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Cu.xml b/novice/shell/filesystem/users/vlad/data/elements/Cu.xml new file mode 100644 index 0000000..00dbd1c --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Cu.xml @@ -0,0 +1,9 @@ + + Cu + 29 + 63.546 + +1,+2 + solid, metal + 1356.6 + 2840 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Dy.xml b/novice/shell/filesystem/users/vlad/data/elements/Dy.xml new file mode 100644 index 0000000..5555dc7 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Dy.xml @@ -0,0 +1,9 @@ + + Dy + 66 + 162.50 + +3 + solid, metal + 1685 + 2835 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Er.xml b/novice/shell/filesystem/users/vlad/data/elements/Er.xml new file mode 100644 index 0000000..07fbd17 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Er.xml @@ -0,0 +1,9 @@ + + Er + 68 + 167.26 + +3 + solid, metal + 1802 + 3136 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Es.xml b/novice/shell/filesystem/users/vlad/data/elements/Es.xml new file mode 100644 index 0000000..493d750 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Es.xml @@ -0,0 +1,7 @@ + + Es + 99 + 252.083 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Eu.xml b/novice/shell/filesystem/users/vlad/data/elements/Eu.xml new file mode 100644 index 0000000..e0c05d3 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Eu.xml @@ -0,0 +1,9 @@ + + Eu + 63 + 151.965 + +2, +3 + solid, metal + 1095 + 1870 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/F.xml b/novice/shell/filesystem/users/vlad/data/elements/F.xml new file mode 100644 index 0000000..3d29289 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/F.xml @@ -0,0 +1,9 @@ + + F + 9 + 18.998403 + -1 + gas, nonmetal + 53.53 + 85.01 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Fe.xml b/novice/shell/filesystem/users/vlad/data/elements/Fe.xml new file mode 100644 index 0000000..cacdaa0 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Fe.xml @@ -0,0 +1,9 @@ + + Fe + 26 + 55.847 + +2,+3 + solid, metal + 1808 + 3023 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Fm.xml b/novice/shell/filesystem/users/vlad/data/elements/Fm.xml new file mode 100644 index 0000000..a1177f8 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Fm.xml @@ -0,0 +1,7 @@ + + Fm + 100 + 257.0951 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Fr.xml b/novice/shell/filesystem/users/vlad/data/elements/Fr.xml new file mode 100644 index 0000000..b490433 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Fr.xml @@ -0,0 +1,9 @@ + + Fr + 87 + 223.0197 + +1 + liquid, metal + 300 + 950 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ga.xml b/novice/shell/filesystem/users/vlad/data/elements/Ga.xml new file mode 100644 index 0000000..b7e6c08 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ga.xml @@ -0,0 +1,9 @@ + + Ga + 31 + 69.723 + +3 + solid, metal + 302.93 + 2676 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Gd.xml b/novice/shell/filesystem/users/vlad/data/elements/Gd.xml new file mode 100644 index 0000000..5871bd3 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Gd.xml @@ -0,0 +1,9 @@ + + Gd + 64 + 157.25 + +3 + solid, metal + 1586 + 3539 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ge.xml b/novice/shell/filesystem/users/vlad/data/elements/Ge.xml new file mode 100644 index 0000000..8ab9196 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ge.xml @@ -0,0 +1,9 @@ + + Ge + 32 + 72.61 + +2,+4 + solid, metalloid + 1210.6 + 3103 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/H.xml b/novice/shell/filesystem/users/vlad/data/elements/H.xml new file mode 100644 index 0000000..569512d --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/H.xml @@ -0,0 +1,9 @@ + + H + 1 + 1.00794 + +1, -1 + gas, non-metal + 14.01 + 20.28 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/He.xml b/novice/shell/filesystem/users/vlad/data/elements/He.xml new file mode 100644 index 0000000..a2fc843 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/He.xml @@ -0,0 +1,9 @@ + + He + 2 + 4.002602 + 0 + gas, non-metal + 0.95 + 4.216 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Hf.xml b/novice/shell/filesystem/users/vlad/data/elements/Hf.xml new file mode 100644 index 0000000..5be2af9 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Hf.xml @@ -0,0 +1,9 @@ + + Hf + 72 + 178.49 + +4 + solid + 2503 + 5470 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Hg.xml b/novice/shell/filesystem/users/vlad/data/elements/Hg.xml new file mode 100644 index 0000000..4ef4869 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Hg.xml @@ -0,0 +1,9 @@ + + Hg + 80 + 200.59 + +1,+2 + liquid + 234.28 + 629.73 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ho.xml b/novice/shell/filesystem/users/vlad/data/elements/Ho.xml new file mode 100644 index 0000000..86d90b1 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ho.xml @@ -0,0 +1,9 @@ + + Ho + 67 + 164.93032 + +3 + solid, metal + 1747 + 2968 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/I.xml b/novice/shell/filesystem/users/vlad/data/elements/I.xml new file mode 100644 index 0000000..e81d243 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/I.xml @@ -0,0 +1,9 @@ + + I + 53 + 126.90447 + +1,+5,+7,-1 + solid, nonmetal + 386.7 + 457.5 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/In.xml b/novice/shell/filesystem/users/vlad/data/elements/In.xml new file mode 100644 index 0000000..48ecc46 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/In.xml @@ -0,0 +1,9 @@ + + In + 49 + 114.818 + +3 + solid, metal + 429.32 + 2353 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ir.xml b/novice/shell/filesystem/users/vlad/data/elements/Ir.xml new file mode 100644 index 0000000..816ef73 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ir.xml @@ -0,0 +1,9 @@ + + Ir + 77 + 192.22 + +3,+4 + solid + 2683 + 4403 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/K.xml b/novice/shell/filesystem/users/vlad/data/elements/K.xml new file mode 100644 index 0000000..7d60294 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/K.xml @@ -0,0 +1,9 @@ + + K + 19 + 39.0983 + +1 + solid, metal + 336.8 + 1047 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Kr.xml b/novice/shell/filesystem/users/vlad/data/elements/Kr.xml new file mode 100644 index 0000000..b8133d3 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Kr.xml @@ -0,0 +1,9 @@ + + Kr + 36 + 83.8 + 0 + gas, nonmetal + 116.6 + 120.85 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/La.xml b/novice/shell/filesystem/users/vlad/data/elements/La.xml new file mode 100644 index 0000000..d4c3f42 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/La.xml @@ -0,0 +1,8 @@ + + La + 57 + 138.9055 + solid, metal + 1194 + 3730 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Li.xml b/novice/shell/filesystem/users/vlad/data/elements/Li.xml new file mode 100644 index 0000000..f0a6dbe --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Li.xml @@ -0,0 +1,9 @@ + + Li + 3 + 6.941 + +1 + solid, metal + 553.69 + 1118.15 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Lr.xml b/novice/shell/filesystem/users/vlad/data/elements/Lr.xml new file mode 100644 index 0000000..1c0c11f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Lr.xml @@ -0,0 +1,7 @@ + + Lr + 103 + 262.11 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Lu.xml b/novice/shell/filesystem/users/vlad/data/elements/Lu.xml new file mode 100644 index 0000000..034f656 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Lu.xml @@ -0,0 +1,9 @@ + + Lu + 71 + 174.967 + +3 + solid, metal + 1936 + 3668 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Md.xml b/novice/shell/filesystem/users/vlad/data/elements/Md.xml new file mode 100644 index 0000000..c114d6b --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Md.xml @@ -0,0 +1,7 @@ + + Md + 101 + 258.1 + +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Mg.xml b/novice/shell/filesystem/users/vlad/data/elements/Mg.xml new file mode 100644 index 0000000..516c349 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Mg.xml @@ -0,0 +1,9 @@ + + Mg + 12 + 24.305 + +2 + solid, metal + 922 + 1363 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Mn.xml b/novice/shell/filesystem/users/vlad/data/elements/Mn.xml new file mode 100644 index 0000000..0d25b67 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Mn.xml @@ -0,0 +1,9 @@ + + Mn + 25 + 54.93805 + +2,+3,+4,+7 + solid, metal + 1517 + 2235 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Mo.xml b/novice/shell/filesystem/users/vlad/data/elements/Mo.xml new file mode 100644 index 0000000..535ff41 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Mo.xml @@ -0,0 +1,9 @@ + + Mo + 42 + 95.94 + +6 + solid, metal + 2890 + 4885 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/N.xml b/novice/shell/filesystem/users/vlad/data/elements/N.xml new file mode 100644 index 0000000..12201ab --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/N.xml @@ -0,0 +1,9 @@ + + N + 7 + 14.00674 + +1,+2,+3,+4,+5,-1,-2,-3 + gas, nonmetal + 63.29 + 77.4 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Na.xml b/novice/shell/filesystem/users/vlad/data/elements/Na.xml new file mode 100644 index 0000000..c889bed --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Na.xml @@ -0,0 +1,9 @@ + + Na + 11 + 22.989768 + +1 + solid, metal + 370.96 + 1156.1 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Nb.xml b/novice/shell/filesystem/users/vlad/data/elements/Nb.xml new file mode 100644 index 0000000..a805ea9 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Nb.xml @@ -0,0 +1,9 @@ + + Nb + 41 + 92.90638 + +3,+5 + solid, metal + 2741 + 5015 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Nd.xml b/novice/shell/filesystem/users/vlad/data/elements/Nd.xml new file mode 100644 index 0000000..02e7604 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Nd.xml @@ -0,0 +1,9 @@ + + Nd + 60 + 144.24 + +3 + solid, metal + 1294 + 3341 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ne.xml b/novice/shell/filesystem/users/vlad/data/elements/Ne.xml new file mode 100644 index 0000000..5c3210f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ne.xml @@ -0,0 +1,9 @@ + + Ne + 10 + 20.1797 + 0 + gas, nonmetal + 24,48 + 27.1 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ni.xml b/novice/shell/filesystem/users/vlad/data/elements/Ni.xml new file mode 100644 index 0000000..c9b8299 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ni.xml @@ -0,0 +1,9 @@ + + Ni + 28 + 58.6934 + +2,+3 + solid, metal + 1726 + 3005 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/No.xml b/novice/shell/filesystem/users/vlad/data/elements/No.xml new file mode 100644 index 0000000..ee1d2c9 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/No.xml @@ -0,0 +1,7 @@ + + No + 102 + 259.1009 + +2, +3 + solid, metal + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Np.xml b/novice/shell/filesystem/users/vlad/data/elements/Np.xml new file mode 100644 index 0000000..3deea7f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Np.xml @@ -0,0 +1,9 @@ + + Np + 93 + 237.048 + +3, +4, +5, +6 + solid, metal + 913 + 4175 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/O.xml b/novice/shell/filesystem/users/vlad/data/elements/O.xml new file mode 100644 index 0000000..149f693 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/O.xml @@ -0,0 +1,9 @@ + + O + 8 + 15.9994 + -2 + gas, nonmetal + 54.8 + 90.19 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Os.xml b/novice/shell/filesystem/users/vlad/data/elements/Os.xml new file mode 100644 index 0000000..8ef2fde --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Os.xml @@ -0,0 +1,9 @@ + + Os + 76 + 190.23 + +3,+4 + solid + 3327 + 5300 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/P.xml b/novice/shell/filesystem/users/vlad/data/elements/P.xml new file mode 100644 index 0000000..0b0ea53 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/P.xml @@ -0,0 +1,9 @@ + + P + 15 + 30.973762 + +3, +5, -3 + solid, nonmetal + 317.3 + 553 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pa.xml b/novice/shell/filesystem/users/vlad/data/elements/Pa.xml new file mode 100644 index 0000000..15b7a0a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pa.xml @@ -0,0 +1,9 @@ + + Pa + 91 + 231.03588 + +4, +5 + solid, metal + 2113 + 4300 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pb.xml b/novice/shell/filesystem/users/vlad/data/elements/Pb.xml new file mode 100644 index 0000000..9f512e9 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pb.xml @@ -0,0 +1,9 @@ + + Pb + 82 + 207.2 + +2,+4 + solid + 600.65 + 2013 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pd.xml b/novice/shell/filesystem/users/vlad/data/elements/Pd.xml new file mode 100644 index 0000000..b850f30 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pd.xml @@ -0,0 +1,9 @@ + + Pd + 46 + 106.42 + +2,+3 + solid, metal + 1825 + 3413 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pm.xml b/novice/shell/filesystem/users/vlad/data/elements/Pm.xml new file mode 100644 index 0000000..f014144 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pm.xml @@ -0,0 +1,9 @@ + + Pm + 61 + 144.9127 + +3 + solid, metal + 1441 + 3000 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Po.xml b/novice/shell/filesystem/users/vlad/data/elements/Po.xml new file mode 100644 index 0000000..d0fdf76 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Po.xml @@ -0,0 +1,9 @@ + + Po + 84 + 208.9824 + +2,+4 + solid + 527 + 1235 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pr.xml b/novice/shell/filesystem/users/vlad/data/elements/Pr.xml new file mode 100644 index 0000000..2019f23 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pr.xml @@ -0,0 +1,9 @@ + + Pr + 59 + 140.90765 + +3 + solid, metal + 1204 + 3785 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pt.xml b/novice/shell/filesystem/users/vlad/data/elements/Pt.xml new file mode 100644 index 0000000..5e17003 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pt.xml @@ -0,0 +1,9 @@ + + Pt + 78 + 195.08 + +2,+4 + solid + 2045 + 4100 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Pu.xml b/novice/shell/filesystem/users/vlad/data/elements/Pu.xml new file mode 100644 index 0000000..140ec45 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Pu.xml @@ -0,0 +1,9 @@ + + Pu + 94 + 244.0642 + +3, +4, +5, +6 + solid, metal + 914 + 3505 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ra.xml b/novice/shell/filesystem/users/vlad/data/elements/Ra.xml new file mode 100644 index 0000000..6c49bf0 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ra.xml @@ -0,0 +1,9 @@ + + Ra + 88 + 226.0254 + +2 + solid, metal + 973 + 1413 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Rb.xml b/novice/shell/filesystem/users/vlad/data/elements/Rb.xml new file mode 100644 index 0000000..80e8309 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Rb.xml @@ -0,0 +1,9 @@ + + Rb + 37 + 85.4678 + +1 + solid, metal + 312.2 + 961 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Re.xml b/novice/shell/filesystem/users/vlad/data/elements/Re.xml new file mode 100644 index 0000000..4c1eeb8 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Re.xml @@ -0,0 +1,9 @@ + + Re + 75 + 186.207 + +4,+6,+7 + solid + 3453 + 5900 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Rh.xml b/novice/shell/filesystem/users/vlad/data/elements/Rh.xml new file mode 100644 index 0000000..76e3e99 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Rh.xml @@ -0,0 +1,9 @@ + + Rh + 45 + 102.9055 + +3 + solid, metal + 2239 + 4000 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Rn.xml b/novice/shell/filesystem/users/vlad/data/elements/Rn.xml new file mode 100644 index 0000000..c892287 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Rn.xml @@ -0,0 +1,9 @@ + + Rn + 86 + 222.0176 + 0 + gas + 202 + 211.4 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ru.xml b/novice/shell/filesystem/users/vlad/data/elements/Ru.xml new file mode 100644 index 0000000..8ec694a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ru.xml @@ -0,0 +1,9 @@ + + Ru + 44 + 101.07 + +3 + solid, metal + 2583 + 4173 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/S.xml b/novice/shell/filesystem/users/vlad/data/elements/S.xml new file mode 100644 index 0000000..b094409 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/S.xml @@ -0,0 +1,9 @@ + + S + 16 + 32.068 + +4,+6,-2 + solid, nonmetal + 386 + 717.824 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Sb.xml b/novice/shell/filesystem/users/vlad/data/elements/Sb.xml new file mode 100644 index 0000000..87de281 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Sb.xml @@ -0,0 +1,9 @@ + + Sb + 51 + 121.757 + +3,+5,-3 + solid, metalloid + 903.9 + 1908 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Sc.xml b/novice/shell/filesystem/users/vlad/data/elements/Sc.xml new file mode 100644 index 0000000..c5ef9af --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Sc.xml @@ -0,0 +1,9 @@ + + Sc + 21 + 44.95591 + +3 + solid, metal + 1814 + 3104 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Se.xml b/novice/shell/filesystem/users/vlad/data/elements/Se.xml new file mode 100644 index 0000000..14239a0 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Se.xml @@ -0,0 +1,9 @@ + + Se + 34 + 78.96 + +4,+6,-2 + solid, nonmetal + 490 + 958.1 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Si.xml b/novice/shell/filesystem/users/vlad/data/elements/Si.xml new file mode 100644 index 0000000..1a88ae3 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Si.xml @@ -0,0 +1,9 @@ + + Si + 14 + 28.0855 + +2,+4,-4 + solid, metalloid + 1683 + 2628 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Sm.xml b/novice/shell/filesystem/users/vlad/data/elements/Sm.xml new file mode 100644 index 0000000..eae0c08 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Sm.xml @@ -0,0 +1,9 @@ + + Sm + 62 + 150.36 + +2, +3 + solid, metal + 1350 + 2064 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Sn.xml b/novice/shell/filesystem/users/vlad/data/elements/Sn.xml new file mode 100644 index 0000000..f2b66fe --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Sn.xml @@ -0,0 +1,9 @@ + + Sn + 50 + 118.71 + +2,+4 + solid, metal + 505.1 + 2543 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Sr.xml b/novice/shell/filesystem/users/vlad/data/elements/Sr.xml new file mode 100644 index 0000000..b1aa6f2 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Sr.xml @@ -0,0 +1,9 @@ + + Sr + 38 + 87.62 + +2 + solid, metal + 1042 + 1657 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ta.xml b/novice/shell/filesystem/users/vlad/data/elements/Ta.xml new file mode 100644 index 0000000..aec1c0f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ta.xml @@ -0,0 +1,9 @@ + + Ta + 73 + 180.9479 + +5 + solid + 3269 + 5698 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Tb.xml b/novice/shell/filesystem/users/vlad/data/elements/Tb.xml new file mode 100644 index 0000000..a190e5f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Tb.xml @@ -0,0 +1,9 @@ + + Tb + 65 + 158.92534 + +3 + solid, metal + 1629 + 3296 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Tc.xml b/novice/shell/filesystem/users/vlad/data/elements/Tc.xml new file mode 100644 index 0000000..11df766 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Tc.xml @@ -0,0 +1,9 @@ + + Tc + 43 + 97.9072 + +4,+6,+7 + solid, metal + 2445 + 5150 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Te.xml b/novice/shell/filesystem/users/vlad/data/elements/Te.xml new file mode 100644 index 0000000..4bcf858 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Te.xml @@ -0,0 +1,9 @@ + + Te + 52 + 127.6 + +4,+6,-2 + solid, metalloid + 722.7 + 1263 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Th.xml b/novice/shell/filesystem/users/vlad/data/elements/Th.xml new file mode 100644 index 0000000..013ae38 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Th.xml @@ -0,0 +1,9 @@ + + Th + 90 + 232.0381 + +3, +4 + solid, metal + 1842 + --- + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Ti.xml b/novice/shell/filesystem/users/vlad/data/elements/Ti.xml new file mode 100644 index 0000000..812474c --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Ti.xml @@ -0,0 +1,9 @@ + + Ti + 22 + 47.88 + +2,+3,+4 + solid, metal + 1933 + 3560 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Tl.xml b/novice/shell/filesystem/users/vlad/data/elements/Tl.xml new file mode 100644 index 0000000..4a9dfea --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Tl.xml @@ -0,0 +1,9 @@ + + Tl + 81 + 204.3833 + +1,+3 + solid + 576.6 + 1730 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Tm.xml b/novice/shell/filesystem/users/vlad/data/elements/Tm.xml new file mode 100644 index 0000000..7cbc41c --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Tm.xml @@ -0,0 +1,9 @@ + + Tm + 69 + 168.93421 + +3 + solid, metal + 1818 + 2220 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/U.xml b/novice/shell/filesystem/users/vlad/data/elements/U.xml new file mode 100644 index 0000000..efc43cb --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/U.xml @@ -0,0 +1,9 @@ + + U + 92 + 238.0289 + +3, +4, +5, +6 + solid, metal + 1405.5 + 4018 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/V.xml b/novice/shell/filesystem/users/vlad/data/elements/V.xml new file mode 100644 index 0000000..76406cc --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/V.xml @@ -0,0 +1,9 @@ + + V + 23 + 50.9415 + +2,+3,+4.+5 + solid, metal + 2160 + 3650 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/W.xml b/novice/shell/filesystem/users/vlad/data/elements/W.xml new file mode 100644 index 0000000..c488942 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/W.xml @@ -0,0 +1,9 @@ + + W + 74 + 183.84 + +6 + solid + 3680 + 5930 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Xe.xml b/novice/shell/filesystem/users/vlad/data/elements/Xe.xml new file mode 100644 index 0000000..e2c8f91 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Xe.xml @@ -0,0 +1,9 @@ + + Xe + 54 + 131.29 + 0 + gas, nonmetal + 161.3 + 166.1 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Y.xml b/novice/shell/filesystem/users/vlad/data/elements/Y.xml new file mode 100644 index 0000000..fed6725 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Y.xml @@ -0,0 +1,9 @@ + + Y + 39 + 88.90585 + +3 + solid, metal + 1795 + 3611 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Yb.xml b/novice/shell/filesystem/users/vlad/data/elements/Yb.xml new file mode 100644 index 0000000..88bda2a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Yb.xml @@ -0,0 +1,9 @@ + + Yb + 70 + 173.04 + +2, +3 + solid, metal + 1097 + 1466 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Zn.xml b/novice/shell/filesystem/users/vlad/data/elements/Zn.xml new file mode 100644 index 0000000..6f4f661 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Zn.xml @@ -0,0 +1,9 @@ + + Zn + 30 + 65.39 + +2 + solid, metal + 692.73 + 1180 + diff --git a/novice/shell/filesystem/users/vlad/data/elements/Zr.xml b/novice/shell/filesystem/users/vlad/data/elements/Zr.xml new file mode 100644 index 0000000..d55b28f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/elements/Zr.xml @@ -0,0 +1,9 @@ + + Zr + 40 + 91.224 + +4 + solid, metal + 2125 + 4650 + diff --git a/novice/shell/filesystem/users/vlad/data/morse.txt b/novice/shell/filesystem/users/vlad/data/morse.txt new file mode 100644 index 0000000..08ba6d1 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/morse.txt @@ -0,0 +1,50 @@ +0 ----- +1 .---- +2 ..--- +3 ...-- +4 ....- +5 ..... +6 -.... +7 --... +8 ---.. +9 ----. +A .- +B -... +C -.-. +D -.. +E . +F ..-. +G --. +H .... +I .. +J .--- +K -.- +L .-.. +M -- +N -. +O --- +P .--. +Q --.- +R .-. +S ... +T - +U ..- +V ...- +W .-- +X -..- +Y -.-- +Z --.. + +. .-.-.- +, --..-- +: ---... +? ..--.. +' .----. +- -....- +/ -..-. +() -.--.- +" .-..-. + +Dots and intra-character spaces are 1 unit long. Dashes and +inter-character spaces are 3 units long. Inter-word spaces are 7 +units long. diff --git a/novice/shell/filesystem/users/vlad/data/pdb/aldrin.pdb b/novice/shell/filesystem/users/vlad/data/pdb/aldrin.pdb new file mode 100644 index 0000000..6e70744 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/aldrin.pdb @@ -0,0 +1,30 @@ +COMPND ALDRIN +AUTHOR DAVE WOODCOCK 97 08 06 +ATOM 1 C 1 -0.888 0.654 -1.753 +ATOM 2 C 1 0.276 1.404 -1.135 +ATOM 3 C 1 1.381 0.453 -0.730 +ATOM 4 C 1 0.786 -0.400 0.372 +ATOM 5 C 1 -0.640 0.143 0.522 +ATOM 6 C 1 -1.451 -0.124 -0.733 +ATOM 7 CL 1 -1.479 -0.191 2.029 +ATOM 8 CL 1 -2.844 -1.216 -0.888 +ATOM 9 CL 1 -1.450 0.743 -3.432 +ATOM 10 CL 1 0.737 2.870 -1.987 +ATOM 11 C 1 -0.369 1.633 0.244 +ATOM 12 CL 1 -1.860 2.599 0.158 +ATOM 13 CL 1 0.735 2.363 1.410 +ATOM 14 C 1 1.037 -1.812 -0.091 +ATOM 15 C 1 0.994 -1.782 -1.608 +ATOM 16 C 1 1.937 -0.617 -1.697 +ATOM 17 C 1 2.584 -2.004 0.033 +ATOM 18 C 1 3.113 -1.214 -1.046 +ATOM 19 H 1 2.231 1.006 -0.328 +ATOM 20 H 1 1.320 -0.204 1.301 +ATOM 21 H 1 0.442 -2.597 0.378 +ATOM 22 H 1 0.002 -1.636 -2.012 +ATOM 23 H 1 1.441 -2.681 -2.039 +ATOM 24 H 1 2.104 -0.212 -2.687 +ATOM 25 H 1 2.985 -2.347 0.999 +ATOM 26 H 1 4.160 -0.911 -0.708 +TER 27 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/ammonia.pdb b/novice/shell/filesystem/users/vlad/data/pdb/ammonia.pdb new file mode 100644 index 0000000..567f6b1 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/ammonia.pdb @@ -0,0 +1,8 @@ +COMPND Ammonia +AUTHOR DAVE WOODCOCK 97 10 31 +ATOM 1 N 1 0.257 -0.363 0.000 +ATOM 2 H 1 0.257 0.727 0.000 +ATOM 3 H 1 0.771 -0.727 0.890 +ATOM 4 H 1 0.771 -0.727 -0.890 +TER 5 1 +END \ No newline at end of file diff --git a/novice/shell/filesystem/users/vlad/data/pdb/ascorbic-acid.pdb b/novice/shell/filesystem/users/vlad/data/pdb/ascorbic-acid.pdb new file mode 100644 index 0000000..863f445 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/ascorbic-acid.pdb @@ -0,0 +1,24 @@ +COMPND ASCORBIC ACID, VITAMIN C +AUTHOR DAVE WOODCOCK 96 05 24 +ATOM 1 C 1 0.182 0.119 -0.645 1.00 0.00 +ATOM 2 C 1 0.591 -1.187 0.091 1.00 0.00 +ATOM 3 C 1 1.908 -1.150 0.401 1.00 0.00 +ATOM 4 C 1 2.407 0.104 0.031 1.00 0.00 +ATOM 5 O 1 1.453 0.978 -0.535 1.00 0.00 +ATOM 6 O 1 3.677 0.478 0.175 1.00 0.00 +ATOM 7 O 1 2.621 -2.174 1.011 1.00 0.00 +ATOM 8 O 1 -0.324 -2.236 0.293 1.00 0.00 +ATOM 9 H 1 -0.030 -0.160 -1.688 1.00 0.00 +ATOM 10 C 1 -1.084 0.762 0.207 1.00 0.00 +ATOM 11 H 1 -1.959 0.100 0.315 1.00 0.00 +ATOM 12 O 1 -0.591 1.195 1.590 1.00 0.00 +ATOM 13 C 1 -1.585 2.076 -0.581 1.00 0.00 +ATOM 14 O 1 -2.771 2.432 0.067 1.00 0.00 +ATOM 15 H 1 1.946 -2.997 1.192 1.00 0.00 +ATOM 16 H 1 -0.747 -2.497 -0.666 1.00 0.00 +ATOM 17 H 1 0.118 2.004 1.470 1.00 0.00 +ATOM 18 H 1 -1.839 1.784 -1.606 1.00 0.00 +ATOM 19 H 1 -0.831 2.856 -0.721 1.00 0.00 +ATOM 20 H 1 -2.572 2.906 1.016 1.00 0.00 +TER 21 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/benzaldehyde.pdb b/novice/shell/filesystem/users/vlad/data/pdb/benzaldehyde.pdb new file mode 100644 index 0000000..4f69896 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/benzaldehyde.pdb @@ -0,0 +1,18 @@ +COMPND BENZALDEHYDE +AUTHOR DAVE WOODCOCK 96 07 05 +ATOM 1 C 1 1.819 1.228 0.002 1.00 0.00 +ATOM 2 O 1 1.819 2.598 0.002 1.00 0.00 +ATOM 3 C 1 0.606 0.528 0.002 1.00 0.00 +ATOM 4 C 1 -0.606 1.228 0.002 1.00 0.00 +ATOM 5 C 1 -1.819 0.528 0.000 1.00 0.00 +ATOM 6 C 1 -1.819 -0.872 -0.002 1.00 0.00 +ATOM 7 C 1 -0.606 -1.572 -0.002 1.00 0.00 +ATOM 8 C 1 0.606 -0.872 0.000 1.00 0.00 +ATOM 9 H 1 2.754 0.688 0.002 1.00 0.00 +ATOM 10 H 1 -0.606 2.308 0.003 1.00 0.00 +ATOM 11 H 1 -2.754 1.068 0.000 1.00 0.00 +ATOM 12 H 1 -2.754 -1.412 -0.003 1.00 0.00 +ATOM 13 H 1 -0.606 -2.652 -0.003 1.00 0.00 +ATOM 14 H 1 1.542 -1.412 0.000 1.00 0.00 +TER 15 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/camphene.pdb b/novice/shell/filesystem/users/vlad/data/pdb/camphene.pdb new file mode 100644 index 0000000..0222e9b --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/camphene.pdb @@ -0,0 +1,30 @@ +COMPND CAMPHENE +AUTHOR DAVE WOODCOCK 96 02 06 +ATOM 1 C 1 1.603 -1.641 0.934 1.00 0.00 +ATOM 2 C 1 0.611 -0.661 0.656 1.00 0.00 +ATOM 3 C 1 -0.722 -0.538 1.432 1.00 0.00 +ATOM 4 C 1 -0.619 0.968 1.694 1.00 0.00 +ATOM 5 C 1 -0.489 1.334 0.209 1.00 0.00 +ATOM 6 C 1 0.772 0.533 -0.254 1.00 0.00 +ATOM 7 H 1 -0.723 -1.135 2.380 1.00 0.00 +ATOM 8 C 1 2.059 1.326 0.041 1.00 0.00 +ATOM 9 C 1 0.751 0.131 -1.743 1.00 0.00 +ATOM 10 H 1 1.453 -2.410 1.680 1.00 0.00 +ATOM 11 H 1 2.544 -1.611 0.385 1.00 0.00 +ATOM 12 H 1 0.202 1.272 2.276 1.00 0.00 +ATOM 13 H 1 -1.592 1.363 2.135 1.00 0.00 +ATOM 14 H 1 -0.420 2.410 0.015 1.00 0.00 +ATOM 15 H 1 2.126 1.567 1.099 1.00 0.00 +ATOM 16 H 1 2.086 2.255 -0.535 1.00 0.00 +ATOM 17 H 1 2.926 0.726 -0.229 1.00 0.00 +ATOM 18 H 1 0.583 0.988 -2.380 1.00 0.00 +ATOM 19 H 1 -0.047 -0.622 -1.933 1.00 0.00 +ATOM 20 H 1 1.700 -0.320 -1.998 1.00 0.00 +ATOM 21 C 1 -1.778 0.698 -0.317 1.00 0.00 +ATOM 22 C 1 -1.823 -0.673 0.487 1.00 0.00 +ATOM 23 H 1 -1.800 0.572 -1.405 1.00 0.00 +ATOM 24 H 1 -2.634 1.317 -0.053 1.00 0.00 +ATOM 25 H 1 -1.745 -1.462 -0.361 1.00 0.00 +ATOM 26 H 1 -2.926 -0.663 0.899 1.00 0.00 +TER 27 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cholesterol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cholesterol.pdb new file mode 100644 index 0000000..17dd116 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cholesterol.pdb @@ -0,0 +1,78 @@ +COMPND CHOLESTEROL +AUTHOR DAVE WOODCOCK 96 07 31 +ATOM 1 C 1 -4.816 0.580 -0.559 1.00 0.00 +ATOM 2 C 1 -5.376 0.265 -1.962 1.00 0.00 +ATOM 3 C 1 -6.876 0.502 -2.096 1.00 0.00 +ATOM 4 C 1 -7.610 -0.380 -1.092 1.00 0.00 +ATOM 5 C 1 -7.266 0.081 0.324 1.00 0.00 +ATOM 6 C 1 -5.750 0.070 0.543 1.00 0.00 +ATOM 7 C 1 -5.245 -0.289 1.805 1.00 0.00 +ATOM 8 C 1 -3.765 -0.603 2.034 1.00 0.00 +ATOM 9 C 1 -2.834 0.035 0.981 1.00 0.00 +ATOM 10 C 1 -3.453 -0.147 -0.423 1.00 0.00 +ATOM 11 C 1 -2.479 0.245 -1.546 1.00 0.00 +ATOM 12 C 1 -1.136 -0.444 -1.410 1.00 0.00 +ATOM 13 C 1 -0.490 -0.120 -0.042 1.00 0.00 +ATOM 14 C 1 -1.463 -0.666 1.001 1.00 0.00 +ATOM 15 C 1 0.762 -0.929 0.295 1.00 0.00 +ATOM 16 C 1 0.771 -0.937 1.840 1.00 0.00 +ATOM 17 C 1 -0.664 -0.610 2.293 1.00 0.00 +ATOM 18 C 1 -4.705 2.108 -0.396 1.00 0.00 +ATOM 19 C 1 -0.225 1.386 0.115 1.00 0.00 +ATOM 20 O 1 -9.006 -0.295 -1.302 1.00 0.00 +ATOM 21 C 1 2.101 -0.421 -0.305 1.00 0.00 +ATOM 22 C 1 3.285 -1.303 0.107 1.00 0.00 +ATOM 23 C 1 4.613 -0.560 -0.129 1.00 0.00 +ATOM 24 C 1 5.829 -1.420 0.234 1.00 0.00 +ATOM 25 C 1 7.126 -0.805 -0.329 1.00 0.00 +ATOM 26 C 1 8.312 -1.688 0.030 1.00 0.00 +ATOM 27 C 1 7.353 0.610 0.201 1.00 0.00 +ATOM 28 C 1 2.018 -0.382 -1.851 1.00 0.00 +ATOM 29 H 1 -5.175 -0.780 -2.201 1.00 0.00 +ATOM 30 H 1 -4.873 0.890 -2.700 1.00 0.00 +ATOM 31 H 1 -7.180 0.235 -3.108 1.00 0.00 +ATOM 32 H 1 -7.114 1.551 -1.920 1.00 0.00 +ATOM 33 H 1 -7.301 -1.419 -1.220 1.00 0.00 +ATOM 34 H 1 -7.742 -0.592 1.039 1.00 0.00 +ATOM 35 H 1 -7.638 1.093 0.484 1.00 0.00 +ATOM 36 H 1 -5.941 -0.503 2.602 1.00 0.00 +ATOM 37 H 1 -3.637 -1.685 1.986 1.00 0.00 +ATOM 38 H 1 -3.462 -0.257 3.023 1.00 0.00 +ATOM 39 H 1 -2.721 1.087 1.229 1.00 0.00 +ATOM 40 H 1 -3.657 -1.214 -0.535 1.00 0.00 +ATOM 41 H 1 -2.313 1.319 -1.556 1.00 0.00 +ATOM 42 H 1 -2.870 -0.071 -2.512 1.00 0.00 +ATOM 43 H 1 -0.444 -0.140 -2.205 1.00 0.00 +ATOM 44 H 1 -1.215 -1.526 -1.511 1.00 0.00 +ATOM 45 H 1 -1.640 -1.720 0.776 1.00 0.00 +ATOM 46 H 1 0.617 -1.959 -0.036 1.00 0.00 +ATOM 47 H 1 1.454 -0.183 2.232 1.00 0.00 +ATOM 48 H 1 1.062 -1.923 2.204 1.00 0.00 +ATOM 49 H 1 -0.699 0.387 2.733 1.00 0.00 +ATOM 50 H 1 -1.021 -1.347 3.012 1.00 0.00 +ATOM 51 H 1 -5.692 2.560 -0.486 1.00 0.00 +ATOM 15 H 1 -4.058 2.530 -1.163 1.00 0.00 +ATOM 53 H 1 -4.308 2.360 0.586 1.00 0.00 +ATOM 54 H 1 -1.147 1.962 0.111 1.00 0.00 +ATOM 55 H 1 0.399 1.737 -0.704 1.00 0.00 +ATOM 56 H 1 0.302 1.581 1.047 1.00 0.00 +ATOM 57 H 1 -9.260 -0.705 -2.269 1.00 0.00 +ATOM 58 H 1 2.272 0.601 0.041 1.00 0.00 +ATOM 59 H 1 3.286 -2.231 -0.468 1.00 0.00 +ATOM 60 H 1 3.233 -1.528 1.173 1.00 0.00 +ATOM 61 H 1 4.637 0.338 0.483 1.00 0.00 +ATOM 62 H 1 4.771 -0.279 -1.183 1.00 0.00 +ATOM 63 H 1 5.715 -2.416 -0.199 1.00 0.00 +ATOM 64 H 1 5.912 -1.519 1.317 1.00 0.00 +ATOM 65 H 1 7.019 -0.764 -1.416 1.00 0.00 +ATOM 66 H 1 8.153 -2.690 -0.370 1.00 0.00 +ATOM 67 H 1 8.422 -1.741 1.114 1.00 0.00 +ATOM 68 H 1 9.216 -1.265 -0.409 1.00 0.00 +ATOM 69 H 1 7.340 0.601 1.292 1.00 0.00 +ATOM 70 H 1 6.578 1.277 -0.175 1.00 0.00 +ATOM 71 H 1 8.324 0.961 -0.149 1.00 0.00 +ATOM 72 H 1 1.483 0.513 -2.162 1.00 0.00 +ATOM 73 H 1 1.515 -1.282 -2.203 1.00 0.00 +ATOM 74 H 1 3.013 -0.348 -2.301 1.00 0.00 +TER 75 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cinnamaldehyde.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cinnamaldehyde.pdb new file mode 100644 index 0000000..64c0221 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cinnamaldehyde.pdb @@ -0,0 +1,22 @@ +COMPND TRANS-CINNAMALDEHYDE +AUTHOR DAVE WOODCOCK 97 06 04 +ATOM 1 C 1 -1.004 1.164 -0.187 +ATOM 2 C 1 -2.392 1.257 -0.390 +ATOM 3 C 1 -3.182 0.100 -0.439 +ATOM 4 C 1 -2.571 -1.153 -0.281 +ATOM 5 C 1 -1.187 -1.249 -0.079 +ATOM 6 C 1 -0.390 -0.085 -0.032 +ATOM 7 C 1 1.001 -0.253 0.173 +ATOM 8 C 1 1.935 0.799 0.220 +ATOM 9 C 1 3.299 0.530 0.439 +ATOM 10 O 1 4.195 1.563 0.481 +ATOM 11 H 1 -0.430 2.073 -0.148 +ATOM 12 H 1 -2.859 2.224 -0.509 +ATOM 13 H 1 -4.249 0.171 -0.595 +ATOM 14 H 1 -3.171 -2.049 -0.317 +ATOM 15 H 1 -0.734 -2.224 0.041 +ATOM 16 H 1 1.360 -1.265 0.300 +ATOM 17 H 1 1.598 1.813 0.082 +ATOM 18 H 1 3.615 -0.496 0.573 +TER 19 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/citronellal.pdb b/novice/shell/filesystem/users/vlad/data/pdb/citronellal.pdb new file mode 100644 index 0000000..7c3c0a4 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/citronellal.pdb @@ -0,0 +1,33 @@ +COMPND (R)-(+)-CITRONELLAL +AUTHOR DAVE WOODCOCK 96 12 20 +ATOM 1 C 1 -1.048 0.968 -0.164 +ATOM 2 C 1 0.094 0.028 0.266 +ATOM 3 C 1 1.449 0.551 -0.209 +ATOM 4 C 1 2.612 -0.216 -0.038 +ATOM 5 C 1 3.943 0.305 -0.590 +ATOM 6 C 1 2.557 -1.568 0.683 +ATOM 7 C 1 -2.405 0.526 0.379 +ATOM 8 C 1 -3.440 1.610 0.039 +ATOM 9 C 1 -2.832 -0.825 -0.214 +ATOM 10 C 1 -4.143 -1.344 0.374 +ATOM 11 O 1 -4.689 -2.508 -0.102 +ATOM 12 H 1 -0.818 1.958 0.231 +ATOM 13 H 1 -1.072 1.018 -1.254 +ATOM 14 H 1 0.091 -0.062 1.353 +ATOM 15 H 1 -0.072 -0.960 -0.157 +ATOM 16 H 1 1.503 1.511 -0.701 +ATOM 17 H 1 3.861 0.420 -1.671 +ATOM 18 H 1 4.163 1.273 -0.138 +ATOM 19 H 1 4.742 -0.399 -0.356 +ATOM 20 H 1 2.116 -1.434 1.671 +ATOM 21 H 1 1.947 -2.263 0.106 +ATOM 22 H 1 3.563 -1.974 0.785 +ATOM 23 H 1 -2.352 0.435 1.465 +ATOM 24 H 1 -3.082 2.562 0.437 +ATOM 25 H 1 -3.536 1.697 -1.044 +ATOM 26 H 1 -4.401 1.338 0.477 +ATOM 27 H 1 -2.924 -0.730 -1.296 +ATOM 28 H 1 -2.062 -1.560 -0.003 +ATOM 29 H 1 -4.609 -0.825 1.198 +TER 30 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/codeine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/codeine.pdb new file mode 100644 index 0000000..f2f5194 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/codeine.pdb @@ -0,0 +1,47 @@ +COMPND CODEINE +AUTHOR DAVE WOODCOCK 97 05 26 +ATOM 1 C 1 0.060 1.042 -0.046 +ATOM 2 C 1 1.341 1.395 0.169 +ATOM 3 C 1 2.213 0.515 0.696 +ATOM 4 C 1 1.819 -0.712 1.064 +ATOM 5 C 1 0.557 -1.075 0.825 +ATOM 6 C 1 -0.276 -0.221 0.241 +ATOM 7 C 1 -1.653 -0.835 0.088 +ATOM 8 C 1 -2.753 0.235 0.113 +ATOM 9 C 1 -2.334 1.337 -0.880 +ATOM 10 C 1 -1.030 2.047 -0.441 +ATOM 11 C 1 -1.619 -1.845 1.257 +ATOM 12 C 1 -1.707 -1.572 -1.266 +ATOM 13 C 1 -1.345 -0.591 -2.399 +ATOM 14 N 1 -2.115 0.716 -2.256 +ATOM 15 C 1 -2.334 1.567 -3.497 +ATOM 16 H 1 -3.696 -0.211 -0.208 +ATOM 17 C 1 -2.964 0.802 1.542 +ATOM 18 C 1 -2.739 0.091 2.611 +ATOM 19 C 1 -1.849 -1.184 2.635 +ATOM 20 H 1 -2.326 -2.660 1.095 +ATOM 21 O 1 -0.175 -2.315 1.279 +ATOM 22 H 1 -2.302 -1.916 3.305 +ATOM 23 O 1 -0.511 -0.791 3.186 +ATOM 24 O 1 2.771 -1.646 1.758 +ATOM 25 H 1 1.653 2.416 -0.055 +ATOM 26 H 1 3.239 0.837 0.866 +ATOM 27 H 1 -3.130 2.079 -0.948 +ATOM 28 H 1 -1.247 2.672 0.425 +ATOM 29 H 1 -0.672 2.680 -1.252 +ATOM 30 H 1 -2.712 -1.964 -1.426 +ATOM 31 H 1 -0.995 -2.398 -1.268 +ATOM 32 H 1 -1.576 -1.049 -3.360 +ATOM 33 H 1 -0.277 -0.373 -2.362 +ATOM 34 H 1 -2.839 0.977 -4.262 +ATOM 35 H 1 -1.370 1.904 -3.878 +ATOM 36 H 1 -2.946 2.434 -3.249 +ATOM 37 H 1 -3.476 1.759 1.606 +ATOM 38 H 1 -3.044 0.458 3.587 +ATOM 39 H 1 3.029 -1.160 3.154 +ATOM 40 H 1 3.668 -1.874 3.673 +ATOM 41 H 1 2.082 -1.068 3.686 +ATOM 42 H 1 3.523 -0.189 3.122 +ATOM 43 H 1 -0.614 -0.398 4.155 +TER 44 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cubane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cubane.pdb new file mode 100644 index 0000000..f4c4370 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cubane.pdb @@ -0,0 +1,20 @@ +COMPND CUBANE +AUTHOR DAVE WOODCOCK 95 12 06 +ATOM 1 C 1 0.789 -0.852 0.504 1.00 0.00 +ATOM 2 C 1 -0.161 -1.104 -0.624 1.00 0.00 +ATOM 3 C 1 -1.262 -0.440 0.160 1.00 0.00 +ATOM 4 C 1 -0.289 -0.202 1.284 1.00 0.00 +ATOM 5 C 1 1.203 0.513 -0.094 1.00 0.00 +ATOM 6 C 1 0.099 1.184 0.694 1.00 0.00 +ATOM 7 C 1 -0.885 0.959 -0.460 1.00 0.00 +ATOM 8 C 1 0.236 0.283 -1.269 1.00 0.00 +ATOM 9 H 1 1.410 -1.631 0.942 1.00 0.00 +ATOM 10 H 1 -0.262 -2.112 -1.024 1.00 0.00 +ATOM 11 H 1 -2.224 -0.925 0.328 1.00 0.00 +ATOM 12 H 1 -0.468 -0.501 2.315 1.00 0.00 +ATOM 13 H 1 2.224 0.892 -0.134 1.00 0.00 +ATOM 14 H 1 0.240 2.112 1.251 1.00 0.00 +ATOM 15 H 1 -1.565 1.730 -0.831 1.00 0.00 +ATOM 16 H 1 0.472 0.494 -2.315 1.00 0.00 +TER 17 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cyclobutane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cyclobutane.pdb new file mode 100644 index 0000000..6fa465d --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cyclobutane.pdb @@ -0,0 +1,16 @@ +COMPND CYCLOBUTANE +AUTHOR DAVE WOODCOCK 96 02 23 +ATOM 1 C 1 -0.750 0.452 -0.417 1.00 0.00 +ATOM 2 C 1 -0.696 -0.588 0.609 1.00 0.00 +ATOM 3 C 1 0.820 -0.678 0.537 1.00 0.00 +ATOM 4 C 1 0.892 0.417 -0.428 1.00 0.00 +ATOM 5 H 1 -1.285 1.273 0.066 1.00 0.00 +ATOM 6 H 1 -1.328 0.080 -1.263 1.00 0.00 +ATOM 7 H 1 -1.225 -1.507 0.366 1.00 0.00 +ATOM 8 H 1 -1.029 -0.162 1.555 1.00 0.00 +ATOM 9 H 1 1.158 -1.594 0.054 1.00 0.00 +ATOM 10 H 1 1.310 -0.477 1.488 1.00 0.00 +ATOM 11 H 1 1.432 0.009 -1.290 1.00 0.00 +ATOM 12 H 1 1.506 1.236 -0.056 1.00 0.00 +TER 13 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cyclohexanol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cyclohexanol.pdb new file mode 100644 index 0000000..f8ff1b1 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cyclohexanol.pdb @@ -0,0 +1,23 @@ +COMPND CYCLOHEXANOL, CHAIR, EQUATORIAL +AUTHOR DAVE WOODCOCK 96 06 28 +ATOM 1 C 1 1.159 -0.600 -0.143 1.00 0.00 +ATOM 2 C 1 0.728 0.390 -1.220 1.00 0.00 +ATOM 3 C 1 -0.790 0.367 -1.363 1.00 0.00 +ATOM 4 C 1 -1.439 0.739 -0.033 1.00 0.00 +ATOM 5 C 1 -1.008 -0.250 1.044 1.00 0.00 +ATOM 6 C 1 0.510 -0.228 1.188 1.00 0.00 +ATOM 7 O 1 2.561 -0.563 -0.004 1.00 0.00 +ATOM 8 H 1 0.848 -1.605 -0.427 1.00 0.00 +ATOM 9 H 1 1.184 0.113 -2.171 1.00 0.00 +ATOM 10 H 1 1.049 1.393 -0.941 1.00 0.00 +ATOM 11 H 1 -1.113 -0.632 -1.655 1.00 0.00 +ATOM 12 H 1 -1.094 1.085 -2.125 1.00 0.00 +ATOM 13 H 1 -2.524 0.710 -0.137 1.00 0.00 +ATOM 14 H 1 -1.128 1.744 0.255 1.00 0.00 +ATOM 15 H 1 -1.330 -1.254 0.766 1.00 0.00 +ATOM 16 H 1 -1.464 0.026 1.995 1.00 0.00 +ATOM 17 H 1 0.814 -0.946 1.950 1.00 0.00 +ATOM 18 H 1 0.833 0.771 1.480 1.00 0.00 +ATOM 19 H 1 2.869 0.433 0.278 1.00 0.00 +TER 20 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/cyclopropane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/cyclopropane.pdb new file mode 100644 index 0000000..83773ab --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/cyclopropane.pdb @@ -0,0 +1,13 @@ +COMPND CYCLOPROPANE +AUTHOR DAVE WOODCOCK 96 02 23 +ATOM 1 C 1 -0.776 -0.483 0.641 1.00 0.00 +ATOM 2 C 1 0.748 -0.414 0.598 1.00 0.00 +ATOM 3 C 1 -0.080 0.342 -0.437 1.00 0.00 +ATOM 4 H 1 -1.250 0.088 1.439 1.00 0.00 +ATOM 5 H 1 -1.214 -1.423 0.306 1.00 0.00 +ATOM 6 H 1 1.250 -1.311 0.235 1.00 0.00 +ATOM 7 H 1 1.214 0.201 1.368 1.00 0.00 +ATOM 8 H 1 -0.089 -0.088 -1.439 1.00 0.00 +ATOM 9 H 1 -0.126 1.423 -0.306 1.00 0.00 +TER 10 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/ethane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/ethane.pdb new file mode 100644 index 0000000..d59ac91 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/ethane.pdb @@ -0,0 +1,12 @@ +COMPND ETHANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 -0.752 0.001 -0.141 1.00 0.00 +ATOM 2 C 1 0.752 -0.001 0.141 1.00 0.00 +ATOM 3 H 1 -1.158 0.991 0.070 1.00 0.00 +ATOM 4 H 1 -1.240 -0.737 0.496 1.00 0.00 +ATOM 5 H 1 -0.924 -0.249 -1.188 1.00 0.00 +ATOM 6 H 1 1.158 -0.991 -0.070 1.00 0.00 +ATOM 7 H 1 0.924 0.249 1.188 1.00 0.00 +ATOM 8 H 1 1.240 0.737 -0.496 1.00 0.00 +TER 9 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/ethanol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/ethanol.pdb new file mode 100644 index 0000000..5bf0713 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/ethanol.pdb @@ -0,0 +1,13 @@ +COMPND METHANOL +AUTHOR DAVE WOODCOCK 96 01 03 +ATOM 1 C 1 -0.426 -0.115 -0.147 1.00 0.00 +ATOM 2 O 1 -0.599 1.244 -0.481 1.00 0.00 +ATOM 3 H 1 -0.750 -0.738 -0.981 1.00 0.00 +ATOM 4 H 1 -1.022 -0.351 0.735 1.00 0.00 +ATOM 5 H 1 -1.642 1.434 -0.689 1.00 0.00 +ATOM 6 C 1 1.047 -0.383 0.147 1.00 0.00 +ATOM 7 H 1 1.370 0.240 0.981 1.00 0.00 +ATOM 8 H 1 1.642 -0.147 -0.735 1.00 0.00 +ATOM 9 H 1 1.180 -1.434 0.405 1.00 0.00 +TER 10 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/ethylcyclohexane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/ethylcyclohexane.pdb new file mode 100644 index 0000000..c0907cf --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/ethylcyclohexane.pdb @@ -0,0 +1,54 @@ +COMPND c8h16-c6-e +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR GENERATED BY BABEL 1.6 +ATOM 1 C UNK 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C UNK 1 1.537 0.000 0.000 1.00 0.00 +ATOM 3 C UNK 1 2.118 1.420 0.000 1.00 0.00 +ATOM 4 C UNK 1 1.794 2.165 1.305 1.00 0.00 +ATOM 5 C UNK 1 2.423 3.561 1.295 1.00 0.00 +ATOM 6 C UNK 1 3.939 3.459 1.119 1.00 0.00 +ATOM 7 C UNK 1 4.262 2.729 -0.186 1.00 0.00 +ATOM 8 C UNK 1 3.639 1.333 -0.171 1.00 0.00 +ATOM 9 H UNK 1 -0.371 0.393 0.945 1.00 0.00 +ATOM 10 H UNK 1 -0.348 -1.028 -0.111 1.00 0.00 +ATOM 11 H UNK 1 -0.361 0.621 -0.821 1.00 0.00 +ATOM 12 H UNK 1 1.871 -0.522 -0.898 1.00 0.00 +ATOM 13 H UNK 1 1.884 -0.540 0.882 1.00 0.00 +ATOM 14 H UNK 1 1.705 1.979 -0.841 1.00 0.00 +ATOM 15 H UNK 1 2.184 1.598 2.151 1.00 0.00 +ATOM 16 H UNK 1 0.714 2.281 1.393 1.00 0.00 +ATOM 17 H UNK 1 2.202 4.059 2.240 1.00 0.00 +ATOM 18 H UNK 1 2.001 4.143 0.474 1.00 0.00 +ATOM 19 H UNK 1 4.364 2.905 1.957 1.00 0.00 +ATOM 20 H UNK 1 4.369 4.461 1.088 1.00 0.00 +ATOM 21 H UNK 1 5.345 2.637 -0.287 1.00 0.00 +ATOM 22 H UNK 1 3.864 3.297 -1.028 1.00 0.00 +ATOM 23 H UNK 1 4.066 0.753 0.649 1.00 0.00 +ATOM 24 H UNK 1 3.861 0.841 -1.120 1.00 0.00 +CONECT 1 2 9 10 11 +CONECT 2 1 3 12 13 +CONECT 3 2 4 8 14 +CONECT 4 3 5 15 16 +CONECT 5 4 6 17 18 +CONECT 6 5 7 19 20 +CONECT 7 6 8 21 22 +CONECT 8 3 7 23 24 +CONECT 9 1 +CONECT 10 1 +CONECT 11 1 +CONECT 12 2 +CONECT 13 2 +CONECT 14 3 +CONECT 15 4 +CONECT 16 4 +CONECT 17 5 +CONECT 18 5 +CONECT 19 6 +CONECT 20 6 +CONECT 21 7 +CONECT 22 7 +CONECT 23 8 +CONECT 24 8 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/glycol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/glycol.pdb new file mode 100644 index 0000000..b16584b --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/glycol.pdb @@ -0,0 +1,14 @@ +COMPND ETHANE-1,2-DIOL +AUTHOR DAVE WOODCOCK 96 06 28 +ATOM 1 C 1 0.000 -0.763 0.000 1.00 0.00 +ATOM 2 C 1 0.000 0.763 0.000 1.00 0.00 +ATOM 3 O 1 -1.329 1.233 0.000 1.00 0.00 +ATOM 4 O 1 1.329 -1.233 0.000 1.00 0.00 +ATOM 5 H 1 -0.514 -1.126 -0.890 1.00 0.00 +ATOM 6 H 1 -0.514 -1.126 0.890 1.00 0.00 +ATOM 7 H 1 0.514 1.126 -0.890 1.00 0.00 +ATOM 8 H 1 0.514 1.126 0.890 1.00 0.00 +ATOM 9 H 1 -1.838 0.873 0.882 1.00 0.00 +ATOM 10 H 1 1.838 -0.873 0.882 1.00 0.00 +TER 11 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/heme.pdb b/novice/shell/filesystem/users/vlad/data/pdb/heme.pdb new file mode 100644 index 0000000..8f23a39 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/heme.pdb @@ -0,0 +1,79 @@ +COMPND HEME +AUTHOR DAVE WOODCOCK 97 05 31 +ATOM 1 C 1 -1.978 3.340 -0.709 +ATOM 2 C 1 -3.116 4.078 -0.849 +ATOM 3 C 1 -4.168 3.145 -0.909 +ATOM 4 C 1 -3.582 1.914 -0.799 +ATOM 5 N 1 -2.214 1.991 -0.679 +ATOM 6 C 1 -4.313 0.722 -0.812 +ATOM 7 C 1 -3.758 -0.525 -0.700 +ATOM 8 C 1 -4.460 -1.668 -0.716 +ATOM 9 C 1 -3.525 -2.738 -0.591 +ATOM 10 C 1 -2.330 -2.115 -0.510 +ATOM 11 N 1 -2.359 -0.771 -0.568 +ATOM 12 C 1 -1.151 -2.884 -0.401 +ATOM 13 C 1 0.199 -2.298 -0.327 +ATOM 14 C 1 1.224 -3.020 -0.246 +ATOM 15 C 1 2.324 -2.015 -0.223 +ATOM 16 C 1 1.783 -0.894 -0.293 +ATOM 17 N 1 0.325 -0.902 -0.373 +ATOM 18 C 1 2.501 0.336 -0.306 +ATOM 19 C 1 1.900 1.621 -0.383 +ATOM 20 C 1 2.616 2.712 -0.378 +ATOM 21 C 1 1.672 3.804 -0.456 +ATOM 22 C 1 0.481 3.242 -0.512 +ATOM 23 N 1 0.525 1.808 -0.469 +ATOM 24 C 1 -0.722 3.948 -0.617 +ATOM 25 FE 1 -0.924 0.535 -0.518 +ATOM 26 C 1 1.072 -4.553 -0.200 +ATOM 27 C 1 3.791 -2.466 -0.128 +ATOM 28 C 1 4.264 -2.377 1.335 +ATOM 29 C 1 5.336 -3.455 1.605 +ATOM 30 O 1 5.954 -3.576 2.949 +ATOM 31 O 1 5.749 -4.381 0.493 +ATOM 32 C 1 4.151 2.620 -0.299 +ATOM 33 C 1 4.735 2.549 -1.722 +ATOM 34 C 1 5.955 3.491 -1.831 +ATOM 35 O 1 6.053 4.462 -2.949 +ATOM 36 O 1 7.041 3.415 -0.793 +ATOM 37 C 1 2.168 5.260 -0.459 +ATOM 38 C 1 -3.036 5.615 -0.908 +ATOM 39 C 1 -5.433 3.562 -1.047 +ATOM 40 C 1 -6.434 2.676 -1.104 +ATOM 41 C 1 -3.949 -4.008 -0.578 +ATOM 42 C 1 -3.075 -5.014 -0.461 +ATOM 43 C 1 -5.994 -1.630 -0.852 +ATOM 44 H 1 3.566 0.310 -0.263 +ATOM 45 H 1 -0.699 5.018 -0.634 +ATOM 46 H 1 1.091 -4.951 -1.214 +ATOM 47 H 1 0.149 -4.834 0.287 +ATOM 48 H 1 1.894 -4.979 0.374 +ATOM 49 H 1 4.416 -1.827 -0.752 +ATOM 50 H 1 3.870 -3.498 -0.473 +ATOM 51 H 1 3.416 -2.537 2.002 +ATOM 52 H 1 4.689 -1.390 1.519 +ATOM 53 H 1 6.143 -3.822 -0.304 +ATOM 54 H 1 4.452 1.749 0.265 +ATOM 55 H 1 4.540 3.501 0.210 +ATOM 56 H 1 3.978 2.860 -2.443 +ATOM 57 H 1 5.044 1.526 -1.939 +ATOM 58 H 1 7.460 2.453 -0.791 +ATOM 59 H 1 2.346 5.581 -1.486 +ATOM 60 H 1 3.098 5.325 0.108 +ATOM 61 H 1 1.419 5.905 -0.001 +ATOM 62 H 1 -2.919 5.934 -1.944 +ATOM 63 H 1 -2.197 5.969 -0.321 +ATOM 64 H 1 -3.949 6.044 -0.497 +ATOM 65 H 1 -5.648 4.629 -1.115 +ATOM 66 H 1 -7.460 3.019 -1.217 +ATOM 67 H 1 -6.445 1.815 -1.069 +ATOM 68 H 1 -5.015 -4.224 -0.664 +ATOM 69 H 1 -3.425 -6.044 -0.451 +ATOM 70 H 1 -2.218 -5.052 -0.374 +ATOM 71 H 1 -6.266 -1.661 -1.907 +ATOM 72 H 1 -6.386 -0.722 -0.402 +ATOM 73 H 1 -6.425 -2.488 -0.340 +ATOM 74 H 1 -5.388 0.748 -0.916 +ATOM 75 H 1 -1.211 -3.962 -0.369 +TER 76 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/lactic-acid.pdb b/novice/shell/filesystem/users/vlad/data/pdb/lactic-acid.pdb new file mode 100644 index 0000000..92c2266 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/lactic-acid.pdb @@ -0,0 +1,15 @@ +COMPND (R)-2-HYDROXYPROPANOIC ACID, LACTIC ACID +AUTHOR DAVE WOODCOCK 98 02 11 +ATOM 1 C 1 -1.341 -1.213 0.672 1.00 0.00 +ATOM 2 C 1 -1.058 0.086 -0.108 1.00 0.00 +ATOM 3 C 1 0.268 0.009 -0.870 1.00 0.00 +ATOM 4 O 1 0.644 1.052 -1.679 1.00 0.00 +ATOM 5 O 1 1.086 -1.141 -0.801 1.00 0.00 +ATOM 6 O 1 -1.032 1.177 0.781 1.00 0.00 +ATOM 7 H 1 -1.409 -2.042 -0.033 1.00 0.00 +ATOM 8 H 1 -2.322 -1.111 1.146 1.00 0.00 +ATOM 9 H 1 -0.506 -1.385 1.360 1.00 0.00 +ATOM 10 H 1 -1.869 0.235 -0.821 1.00 0.00 +ATOM 11 H 1 0.849 -1.803 -1.621 1.00 0.00 +ATOM 12 H 1 -0.243 1.052 1.509 1.00 0.00 +TER diff --git a/novice/shell/filesystem/users/vlad/data/pdb/lactose.pdb b/novice/shell/filesystem/users/vlad/data/pdb/lactose.pdb new file mode 100644 index 0000000..6ad66a9 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/lactose.pdb @@ -0,0 +1,49 @@ +COMPND LACTOSE +AUTHOR DAVE WOODCOCK 96 10 11 +ATOM 1 C 1 -1.751 2.307 -0.863 +ATOM 2 C 1 -2.630 2.467 0.383 +ATOM 3 C 1 -2.354 1.287 1.317 +ATOM 4 C 1 -0.856 1.212 1.630 +ATOM 5 C 1 -0.037 1.165 0.327 +ATOM 6 O 1 -0.394 2.268 -0.481 +ATOM 7 O 1 1.349 1.250 0.639 +ATOM 8 C 1 2.229 1.267 -0.481 +ATOM 9 C 1 3.443 0.371 -0.159 +ATOM 10 C 1 2.748 2.703 -0.740 +ATOM 11 C 1 3.885 2.679 -1.789 +ATOM 12 C 1 4.966 1.700 -1.351 +ATOM 13 O 1 4.397 0.413 -1.204 +ATOM 14 O 1 5.980 1.622 -2.337 +ATOM 15 O 1 4.402 3.981 -1.939 +ATOM 16 O 1 1.762 3.565 -1.242 +ATOM 17 O 1 -0.573 0.084 2.433 +ATOM 18 O 1 -3.092 1.426 2.514 +ATOM 19 O 1 -2.358 3.677 1.057 +ATOM 20 C 1 -1.929 3.473 -1.847 +ATOM 21 O 1 -1.074 3.308 -2.962 +ATOM 22 C 1 3.012 -1.094 0.030 +ATOM 23 O 1 4.146 -1.902 0.275 +ATOM 24 H 1 -2.017 1.377 -1.368 +ATOM 25 H 1 -3.681 2.450 0.091 +ATOM 26 H 1 -2.664 0.368 0.817 +ATOM 27 H 1 -0.563 2.106 2.184 +ATOM 28 H 1 -0.248 0.235 -0.202 +ATOM 29 H 1 1.751 0.899 -1.387 +ATOM 30 H 1 3.886 0.712 0.779 +ATOM 31 H 1 3.169 3.081 0.182 +ATOM 32 H 1 3.437 2.343 -2.729 +ATOM 33 H 1 5.420 2.015 -0.410 +ATOM 34 H 1 6.555 2.537 -2.352 +ATOM 35 H 1 4.825 4.336 -1.010 +ATOM 36 H 1 1.352 4.184 -0.425 +ATOM 37 H 1 -0.842 -0.825 1.914 +ATOM 38 H 1 -4.151 1.407 2.300 +ATOM 39 H 1 -2.880 4.492 0.578 +ATOM 40 H 1 -1.664 4.411 -1.360 +ATOM 41 H 1 -2.965 3.522 -2.183 +ATOM 42 H 1 -1.345 2.417 -3.510 +ATOM 43 H 1 2.521 -1.441 -0.879 +ATOM 44 H 1 2.316 -1.185 0.866 +ATOM 45 H 1 4.617 -1.610 1.202 +TER 46 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/lanoxin.pdb b/novice/shell/filesystem/users/vlad/data/pdb/lanoxin.pdb new file mode 100644 index 0000000..b8a1d30 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/lanoxin.pdb @@ -0,0 +1,248 @@ +COMPND lanoxin +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR GENERATED BY BABEL 1.6 +ATOM 1 C UNK 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C UNK 1 1.552 0.000 0.000 1.00 0.00 +ATOM 3 C UNK 1 2.060 1.441 0.000 1.00 0.00 +ATOM 4 C UNK 1 1.613 2.260 1.212 1.00 0.00 +ATOM 5 C UNK 1 0.070 2.226 1.213 1.00 0.00 +ATOM 6 C UNK 1 -0.523 0.789 1.215 1.00 0.00 +ATOM 7 O UNK 1 -0.541 -1.323 0.139 1.00 0.00 +ATOM 8 H UNK 1 1.635 1.911 -0.887 1.00 0.00 +ATOM 9 C UNK 1 3.556 1.471 -0.171 1.00 0.00 +ATOM 10 C UNK 1 4.003 2.898 -0.423 1.00 0.00 +ATOM 11 C UNK 1 3.598 3.813 0.738 1.00 0.00 +ATOM 12 C UNK 1 2.093 3.737 1.001 1.00 0.00 +ATOM 13 C UNK 1 2.136 1.687 2.553 1.00 0.00 +ATOM 14 H UNK 1 1.560 4.101 0.124 1.00 0.00 +ATOM 15 H UNK 1 4.130 3.480 1.629 1.00 0.00 +ATOM 16 C UNK 1 4.057 5.279 0.447 1.00 0.00 +ATOM 17 C UNK 1 3.619 6.326 1.509 1.00 0.00 +ATOM 18 C UNK 1 2.105 6.113 1.845 1.00 0.00 +ATOM 19 C UNK 1 1.759 4.644 2.191 1.00 0.00 +ATOM 20 O UNK 1 5.483 5.295 0.383 1.00 0.00 +ATOM 21 C UNK 1 3.737 7.680 0.780 1.00 0.00 +ATOM 22 C UNK 1 4.414 6.244 2.808 1.00 0.00 +ATOM 23 C UNK 1 3.757 7.373 -0.713 1.00 0.00 +ATOM 24 C UNK 1 3.495 5.876 -0.862 1.00 0.00 +ATOM 25 H UNK 1 2.850 8.277 0.993 1.00 0.00 +ATOM 26 C UNK 1 4.907 8.603 1.130 1.00 0.00 +ATOM 27 C UNK 1 6.250 8.296 1.016 1.00 0.00 +ATOM 28 C UNK 1 6.957 9.503 1.071 1.00 0.00 +ATOM 29 O UNK 1 8.326 9.615 0.895 1.00 0.00 +ATOM 30 O UNK 1 6.101 10.641 1.259 1.00 0.00 +ATOM 31 C UNK 1 4.774 10.096 1.342 1.00 0.00 +ATOM 32 C UNK 1 -0.628 -2.144 -1.030 1.00 0.00 +ATOM 33 C UNK 1 -1.485 -1.532 -2.165 1.00 0.00 +ATOM 34 C UNK 1 -0.612 -1.229 -3.376 1.00 0.00 +ATOM 35 C UNK 1 0.035 -2.526 -3.859 1.00 0.00 +ATOM 36 C UNK 1 0.620 -3.312 -2.660 1.00 0.00 +ATOM 37 O UNK 1 0.662 -2.505 -1.495 1.00 0.00 +ATOM 38 O UNK 1 -1.385 -0.646 -4.394 1.00 0.00 +ATOM 39 C UNK 1 2.073 -3.766 -2.921 1.00 0.00 +ATOM 40 O UNK 1 2.122 -4.691 -3.993 1.00 0.00 +ATOM 41 O UNK 1 -0.970 -3.298 -4.513 1.00 0.00 +ATOM 42 H UNK 1 0.168 -0.522 -3.087 1.00 0.00 +ATOM 43 H UNK 1 0.836 -2.253 -4.546 1.00 0.00 +ATOM 44 C UNK 1 -0.588 -3.896 -5.749 1.00 0.00 +ATOM 45 C UNK 1 -1.808 -4.580 -6.376 1.00 0.00 +ATOM 46 C UNK 1 -1.397 -5.278 -7.671 1.00 0.00 +ATOM 47 C UNK 1 -0.662 -4.304 -8.609 1.00 0.00 +ATOM 48 C UNK 1 0.410 -3.510 -7.846 1.00 0.00 +ATOM 49 O UNK 1 -0.136 -2.920 -6.680 1.00 0.00 +ATOM 50 H UNK 1 -2.288 -5.651 -8.175 1.00 0.00 +ATOM 51 O UNK 1 -0.566 -6.381 -7.370 1.00 0.00 +ATOM 52 H UNK 1 -1.380 -3.601 -9.030 1.00 0.00 +ATOM 53 O UNK 1 -0.026 -5.076 -9.625 1.00 0.00 +ATOM 54 C UNK 1 0.976 -2.374 -8.700 1.00 0.00 +ATOM 55 O UNK 1 1.741 -2.864 -9.774 1.00 0.00 +ATOM 56 C UNK 1 -0.596 -5.080 -10.937 1.00 0.00 +ATOM 57 C UNK 1 -2.109 -5.455 -10.956 1.00 0.00 +ATOM 58 C UNK 1 -2.560 -5.484 -12.419 1.00 0.00 +ATOM 59 C UNK 1 -2.219 -4.162 -13.110 1.00 0.00 +ATOM 60 C UNK 1 -0.722 -3.864 -12.944 1.00 0.00 +ATOM 61 O UNK 1 -0.395 -3.801 -11.564 1.00 0.00 +ATOM 62 H UNK 1 -3.642 -5.615 -12.434 1.00 0.00 +ATOM 63 O UNK 1 -1.989 -6.561 -13.094 1.00 0.00 +ATOM 64 H UNK 1 -2.804 -3.369 -12.642 1.00 0.00 +ATOM 65 O UNK 1 -2.572 -4.252 -14.480 1.00 0.00 +ATOM 66 C UNK 1 -0.329 -2.526 -13.579 1.00 0.00 +ATOM 67 O UNK 1 1.046 -2.259 -13.359 1.00 0.00 +ATOM 68 H UNK 1 -0.370 0.475 -0.907 1.00 0.00 +ATOM 69 H UNK 1 1.927 -0.484 -0.901 1.00 0.00 +ATOM 70 H UNK 1 1.966 -0.568 0.832 1.00 0.00 +ATOM 71 H UNK 1 -0.369 2.812 0.402 1.00 0.00 +ATOM 72 H UNK 1 -0.283 2.663 2.146 1.00 0.00 +ATOM 73 H UNK 1 -1.620 0.817 1.240 1.00 0.00 +ATOM 74 H UNK 1 -0.109 0.298 2.093 1.00 0.00 +ATOM 75 H UNK 1 3.843 0.849 -1.017 1.00 0.00 +ATOM 76 H UNK 1 4.061 1.067 0.707 1.00 0.00 +ATOM 77 H UNK 1 3.608 3.249 -1.376 1.00 0.00 +ATOM 78 H UNK 1 5.088 2.869 -0.492 1.00 0.00 +ATOM 79 H UNK 1 3.201 1.832 2.731 1.00 0.00 +ATOM 80 H UNK 1 1.912 0.623 2.608 1.00 0.00 +ATOM 81 H UNK 1 1.740 2.265 3.393 1.00 0.00 +ATOM 82 H UNK 1 1.552 6.327 0.916 1.00 0.00 +ATOM 83 H UNK 1 1.909 6.716 2.750 1.00 0.00 +ATOM 84 H UNK 1 0.686 4.634 2.387 1.00 0.00 +ATOM 85 H UNK 1 2.298 4.329 3.085 1.00 0.00 +ATOM 86 H UNK 1 5.842 4.973 -0.584 1.00 0.00 +ATOM 87 H UNK 1 5.498 6.282 2.692 1.00 0.00 +ATOM 88 H UNK 1 4.369 5.247 3.258 1.00 0.00 +ATOM 89 H UNK 1 4.089 7.026 3.497 1.00 0.00 +ATOM 90 H UNK 1 4.711 7.620 -1.177 1.00 0.00 +ATOM 91 H UNK 1 2.997 7.955 -1.235 1.00 0.00 +ATOM 92 H UNK 1 3.998 5.490 -1.749 1.00 0.00 +ATOM 93 H UNK 1 2.425 5.712 -0.976 1.00 0.00 +ATOM 94 H UNK 1 6.662 7.349 0.713 1.00 0.00 +ATOM 95 H UNK 1 4.108 10.544 0.606 1.00 0.00 +ATOM 96 H UNK 1 4.332 10.297 2.317 1.00 0.00 +ATOM 97 H UNK 1 -1.130 -3.063 -0.725 1.00 0.00 +ATOM 98 H UNK 1 -1.936 -0.603 -1.816 1.00 0.00 +ATOM 99 H UNK 1 -2.242 -2.263 -2.457 1.00 0.00 +ATOM 100 H UNK 1 0.005 -4.192 -2.459 1.00 0.00 +ATOM 101 H UNK 1 -0.747 -0.378 -5.224 1.00 0.00 +ATOM 102 H UNK 1 2.455 -4.258 -2.020 1.00 0.00 +ATOM 103 H UNK 1 2.650 -2.884 -3.210 1.00 0.00 +ATOM 104 H UNK 1 3.144 -4.997 -4.165 1.00 0.00 +ATOM 105 H UNK 1 0.189 -4.635 -5.562 1.00 0.00 +ATOM 106 H UNK 1 -2.576 -3.837 -6.592 1.00 0.00 +ATOM 107 H UNK 1 -2.268 -5.284 -5.683 1.00 0.00 +ATOM 108 H UNK 1 1.230 -4.171 -7.562 1.00 0.00 +ATOM 109 H UNK 1 -1.121 -7.120 -6.810 1.00 0.00 +ATOM 110 H UNK 1 1.642 -1.782 -8.071 1.00 0.00 +ATOM 111 H UNK 1 0.168 -1.743 -9.073 1.00 0.00 +ATOM 112 H UNK 1 2.110 -2.034 -10.358 1.00 0.00 +ATOM 113 H UNK 1 -0.046 -5.836 -11.501 1.00 0.00 +ATOM 114 H UNK 1 -2.651 -4.618 -10.513 1.00 0.00 +ATOM 115 H UNK 1 -2.290 -6.434 -10.488 1.00 0.00 +ATOM 116 H UNK 1 -0.139 -4.651 -13.424 1.00 0.00 +ATOM 117 H UNK 1 -2.329 -7.482 -12.643 1.00 0.00 +ATOM 118 H UNK 1 -2.674 -3.265 -14.907 1.00 0.00 +ATOM 119 H UNK 1 -0.904 -1.743 -13.080 1.00 0.00 +ATOM 120 H UNK 1 -0.505 -2.570 -14.657 1.00 0.00 +ATOM 121 H UNK 1 1.659 -3.001 -13.851 1.00 0.00 +CONECT 1 2 6 7 68 +CONECT 2 1 3 69 70 +CONECT 3 2 4 8 9 +CONECT 4 3 5 12 13 +CONECT 5 4 6 71 72 +CONECT 6 1 5 73 74 +CONECT 7 1 32 +CONECT 8 3 +CONECT 9 3 10 75 76 +CONECT 10 9 11 77 78 +CONECT 11 10 12 15 16 +CONECT 12 4 11 14 19 +CONECT 13 4 79 80 81 +CONECT 14 12 +CONECT 15 11 +CONECT 16 11 17 20 24 +CONECT 17 16 18 21 22 +CONECT 18 17 19 82 83 +CONECT 19 12 18 84 85 +CONECT 20 16 86 +CONECT 21 17 23 25 26 +CONECT 22 17 87 88 89 +CONECT 23 21 24 90 91 +CONECT 24 16 23 92 93 +CONECT 25 21 +CONECT 26 21 27 31 +CONECT 27 26 28 94 +CONECT 28 27 29 30 +CONECT 29 28 +CONECT 30 28 31 +CONECT 31 26 30 95 96 +CONECT 32 7 33 37 97 +CONECT 33 32 34 98 99 +CONECT 34 33 35 38 42 +CONECT 35 34 36 41 43 +CONECT 36 35 37 39 100 +CONECT 37 32 36 +CONECT 38 34 101 +CONECT 39 36 40 102 103 +CONECT 40 39 104 +CONECT 41 35 44 +CONECT 42 34 +CONECT 43 35 +CONECT 44 41 45 49 105 +CONECT 45 44 46 106 107 +CONECT 46 45 47 50 51 +CONECT 47 46 48 52 53 +CONECT 48 47 49 54 108 +CONECT 49 44 48 +CONECT 50 46 +CONECT 51 46 109 +CONECT 52 47 +CONECT 53 47 56 +CONECT 54 48 55 110 111 +CONECT 55 54 112 +CONECT 56 53 57 61 113 +CONECT 57 56 58 114 115 +CONECT 58 57 59 62 63 +CONECT 59 58 60 64 65 +CONECT 60 59 61 66 116 +CONECT 61 56 60 +CONECT 62 58 +CONECT 63 58 117 +CONECT 64 59 +CONECT 65 59 118 +CONECT 66 60 67 119 120 +CONECT 67 66 121 +CONECT 68 1 +CONECT 69 2 +CONECT 70 2 +CONECT 71 5 +CONECT 72 5 +CONECT 73 6 +CONECT 74 6 +CONECT 75 9 +CONECT 76 9 +CONECT 77 10 +CONECT 78 10 +CONECT 79 13 +CONECT 80 13 +CONECT 81 13 +CONECT 82 18 +CONECT 83 18 +CONECT 84 19 +CONECT 85 19 +CONECT 86 20 +CONECT 87 22 +CONECT 88 22 +CONECT 89 22 +CONECT 90 23 +CONECT 91 23 +CONECT 92 24 +CONECT 93 24 +CONECT 94 27 +CONECT 95 31 +CONECT 96 31 +CONECT 97 32 +CONECT 98 33 +CONECT 99 33 +CONECT 100 36 +CONECT 101 38 +CONECT 102 39 +CONECT 103 39 +CONECT 104 40 +CONECT 105 44 +CONECT 106 45 +CONECT 107 45 +CONECT 108 48 +CONECT 109 51 +CONECT 110 54 +CONECT 111 54 +CONECT 112 55 +CONECT 113 56 +CONECT 114 57 +CONECT 115 57 +CONECT 116 60 +CONECT 117 63 +CONECT 118 65 +CONECT 119 66 +CONECT 120 66 +CONECT 121 67 +MASTER 0 0 0 0 0 0 0 0 121 0 121 0 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/lsd.pdb b/novice/shell/filesystem/users/vlad/data/pdb/lsd.pdb new file mode 100644 index 0000000..6b31d50 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/lsd.pdb @@ -0,0 +1,53 @@ +COMPND LSD, LYSERGIC ACID, DIETHYLAMIDE +AUTHOR DAVE WOODCOCK 95 12 12 +ATOM 1 C 1 -2.697 -1.271 1.437 1.00 0.00 +ATOM 2 C 1 -2.126 -0.717 0.282 1.00 0.00 +ATOM 3 C 1 -3.021 -0.234 -0.708 1.00 0.00 +ATOM 4 C 1 -4.413 -0.428 -0.556 1.00 0.00 +ATOM 5 C 1 -4.949 -1.119 0.554 1.00 0.00 +ATOM 6 C 1 -4.059 -1.516 1.553 1.00 0.00 +ATOM 7 N 1 -4.241 -2.471 2.497 1.00 0.00 +ATOM 8 C 1 -3.036 -2.857 2.960 1.00 0.00 +ATOM 9 C 1 -2.037 -2.106 2.326 1.00 0.00 +ATOM 10 C 1 -0.615 -2.577 1.977 1.00 0.00 +ATOM 11 C 1 0.119 -1.421 1.282 1.00 0.00 +ATOM 12 C 1 -0.710 -0.753 0.162 1.00 0.00 +ATOM 13 H 1 0.300 -0.639 2.094 1.00 0.00 +ATOM 14 N 1 1.388 -1.914 0.749 1.00 0.00 +ATOM 15 C 1 -0.013 -0.114 -0.876 1.00 0.00 +ATOM 16 C 1 1.519 -0.062 -0.921 1.00 0.00 +ATOM 17 C 1 2.188 -0.766 0.268 1.00 0.00 +ATOM 18 H 1 1.852 -0.599 -1.846 1.00 0.00 +ATOM 19 C 1 1.972 1.398 -0.946 1.00 0.00 +ATOM 20 O 1 1.227 2.309 -0.252 1.00 0.00 +ATOM 21 N 1 3.346 1.735 -1.342 1.00 0.00 +ATOM 22 C 1 3.754 3.060 -0.781 1.00 0.00 +ATOM 21 C 1 5.214 3.412 -1.048 1.00 0.00 +ATOM 24 C 1 3.538 1.630 -2.822 1.00 0.00 +ATOM 25 C 1 4.848 0.923 -3.149 1.00 0.00 +ATOM 26 H 1 -2.661 0.224 -1.617 1.00 0.00 +ATOM 27 H 1 -5.075 -0.101 -1.344 1.00 0.00 +ATOM 28 H 1 -5.995 -1.385 0.616 1.00 0.00 +ATOM 29 H 1 -5.144 -3.055 2.631 1.00 0.00 +ATOM 30 H 1 -2.844 -3.801 3.451 1.00 0.00 +ATOM 31 H 1 -0.701 -3.442 1.316 1.00 0.00 +ATOM 32 H 1 -0.110 -2.884 2.898 1.00 0.00 +ATOM 33 H 1 -0.558 0.396 -1.651 1.00 0.00 +ATOM 34 H 1 2.320 -0.064 1.092 1.00 0.00 +ATOM 35 H 1 3.179 -1.115 -0.035 1.00 0.00 +ATOM 36 H 1 3.590 3.043 0.289 1.00 0.00 +ATOM 37 H 1 3.115 3.833 -1.214 1.00 0.00 +ATOM 38 H 1 5.370 3.618 -2.167 1.00 0.00 +ATOM 39 H 1 5.888 2.566 -0.704 1.00 0.00 +ATOM 40 H 1 5.482 4.388 -0.447 1.00 0.00 +ATOM 41 H 1 3.515 2.632 -3.251 1.00 0.00 +ATOM 42 H 1 2.713 1.085 -3.258 1.00 0.00 +ATOM 43 H 1 4.872 -0.106 -2.644 1.00 0.00 +ATOM 44 H 1 5.750 1.550 -2.790 1.00 0.00 +ATOM 45 H 1 4.922 0.787 -4.320 1.00 0.00 +ATOM 46 C 1 1.690 -3.403 0.759 1.00 0.00 +ATOM 47 H 1 0.936 -3.931 0.174 1.00 0.00 +ATOM 48 H 1 1.675 -3.770 1.786 1.00 0.00 +ATOM 49 H 1 2.674 -3.578 0.325 1.00 0.00 +TER 50 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/maltose.pdb b/novice/shell/filesystem/users/vlad/data/pdb/maltose.pdb new file mode 100644 index 0000000..7a0f7ab --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/maltose.pdb @@ -0,0 +1,49 @@ +COMPND mALTOSE +AUTHOR DAVE WOODCOCK 96 10 11 +ATOM 1 C 1 -1.194 0.890 0.052 +ATOM 2 C 1 -2.033 1.672 1.075 +ATOM 3 C 1 -3.272 0.905 1.549 +ATOM 4 C 1 -4.036 0.377 0.329 +ATOM 5 C 1 -3.071 -0.476 -0.504 +ATOM 6 C 1 -3.796 -1.094 -1.710 +ATOM 7 O 1 -2.020 0.354 -0.981 +ATOM 8 O 1 -2.902 -1.888 -2.464 +ATOM 9 O 1 -1.243 2.038 2.192 +ATOM 10 O 1 -4.095 1.764 2.313 +ATOM 11 O 1 -5.143 -0.398 0.750 +ATOM 12 O 1 -0.402 -0.165 0.587 +ATOM 13 C 1 1.000 0.108 0.705 +ATOM 14 C 1 1.607 -0.955 1.647 +ATOM 15 C 1 3.108 -0.693 1.825 +ATOM 16 C 1 3.796 -0.629 0.456 +ATOM 17 C 1 1.797 0.015 -0.620 +ATOM 18 C 1 1.358 0.980 -1.728 +ATOM 19 O 1 2.268 0.945 -2.813 +ATOM 20 O 1 3.154 0.334 -0.351 +ATOM 21 O 1 5.146 -0.233 0.596 +ATOM 22 O 1 3.696 -1.708 2.619 +ATOM 23 O 1 0.985 -0.941 2.915 +ATOM 24 H 1 -0.600 1.629 -0.378 +ATOM 25 H 1 -2.380 2.596 0.603 +ATOM 26 H 1 -2.959 0.061 2.167 +ATOM 27 H 1 -4.391 1.212 -0.277 +ATOM 28 H 1 -2.676 -1.283 0.116 +ATOM 29 H 1 -4.179 -0.296 -2.347 +ATOM 30 H 1 -4.629 -1.716 -1.381 +ATOM 31 H 1 -2.567 -2.730 -1.874 +ATOM 32 H 1 -0.480 2.739 1.883 +ATOM 33 H 1 -4.441 2.594 1.712 +ATOM 34 H 1 -5.911 0.238 1.166 +ATOM 35 H 1 1.142 1.091 1.156 +ATOM 36 H 1 1.467 -1.939 1.194 +ATOM 37 H 1 3.242 0.265 2.331 +ATOM 38 H 1 3.758 -1.604 -0.032 +ATOM 39 H 1 1.727 -1.001 -1.014 +ATOM 40 H 1 1.343 2.007 -1.355 +ATOM 41 H 1 0.376 0.718 -2.121 +ATOM 42 H 1 2.263 -0.038 -3.263 +ATOM 43 H 1 5.721 -1.020 1.062 +ATOM 44 H 1 3.590 -2.670 2.138 +ATOM 45 H 1 -0.006 -1.367 2.855 +TER 46 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/menthol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/menthol.pdb new file mode 100644 index 0000000..55ddaac --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/menthol.pdb @@ -0,0 +1,35 @@ +COMPND MENTHOL +AUTHOR DAVE WOODCOCK 95 11 02 +ATOM 1 C 1 2.007 0.837 -0.426 1.00 0.00 +ATOM 2 C 1 1.103 1.677 -1.313 1.00 0.00 +ATOM 3 C 1 0.026 0.777 -1.900 1.00 0.00 +ATOM 4 C 1 -0.811 0.124 -0.800 1.00 0.00 +ATOM 5 C 1 0.068 -0.698 0.172 1.00 0.00 +ATOM 6 C 1 1.197 0.205 0.701 1.00 0.00 +ATOM 7 H 1 2.781 1.477 0.009 1.00 0.00 +ATOM 8 H 1 2.483 0.053 -1.023 1.00 0.00 +ATOM 9 H 1 0.647 2.475 -0.725 1.00 0.00 +ATOM 10 H 1 0.491 0.005 -2.518 1.00 0.00 +ATOM 11 H 1 -0.639 1.383 -2.522 1.00 0.00 +ATOM 12 H 1 -1.350 0.878 -0.223 1.00 0.00 +ATOM 13 H 1 0.520 -1.524 -0.381 1.00 0.00 +ATOM 14 H 1 1.899 -0.397 1.296 1.00 0.00 +ATOM 15 H 1 0.769 0.991 1.338 1.00 0.00 +ATOM 16 C 1 1.920 2.324 -2.436 1.00 0.00 +ATOM 17 H 1 2.396 1.556 -3.045 1.00 0.00 +ATOM 18 H 1 2.689 2.970 -2.010 1.00 0.00 +ATOM 19 H 1 1.265 2.925 -3.069 1.00 0.00 +ATOM 20 C 1 -0.738 -1.284 1.368 1.00 0.00 +ATOM 21 C 1 0.178 -2.060 2.327 1.00 0.00 +ATOM 22 C 1 -1.848 -2.234 0.936 1.00 0.00 +ATOM 23 O 1 -1.759 -0.703 -1.456 1.00 0.00 +ATOM 24 H 1 -1.172 -0.448 1.922 1.00 0.00 +ATOM 25 H 1 0.842 -1.380 2.861 1.00 0.00 +ATOM 26 H 1 0.768 -2.793 1.770 1.00 0.00 +ATOM 27 H 1 -0.427 -2.583 3.069 1.00 0.00 +ATOM 28 H 1 -1.468 -2.970 0.149 1.00 0.00 +ATOM 29 H 1 -2.781 -1.610 0.492 1.00 0.00 +ATOM 30 H 1 -2.240 -2.828 1.850 1.00 0.00 +ATOM 31 H 1 -2.445 -0.089 -2.008 1.00 0.00 +TER 32 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/methane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/methane.pdb new file mode 100644 index 0000000..7908351 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/methane.pdb @@ -0,0 +1,9 @@ +COMPND METHANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 0.257 -0.363 0.000 1.00 0.00 +ATOM 2 H 1 0.257 0.727 0.000 1.00 0.00 +ATOM 3 H 1 0.771 -0.727 0.890 1.00 0.00 +ATOM 4 H 1 0.771 -0.727 -0.890 1.00 0.00 +ATOM 5 H 1 -0.771 -0.727 0.000 1.00 0.00 +TER 6 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/methanol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/methanol.pdb new file mode 100644 index 0000000..45514b3 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/methanol.pdb @@ -0,0 +1,10 @@ +COMPND METHANOL +AUTHOR DAVE WOODCOCK 96 01 03 +ATOM 1 C 1 -0.748 -0.015 0.024 1.00 0.00 +ATOM 2 O 1 0.558 0.420 -0.278 1.00 0.00 +ATOM 3 H 1 -1.293 -0.202 -0.901 1.00 0.00 +ATOM 4 H 1 -1.263 0.754 0.600 1.00 0.00 +ATOM 5 H 1 -0.699 -0.934 0.609 1.00 0.00 +ATOM 6 H 1 0.716 1.404 0.137 1.00 0.00 +TER 6 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/mint.pdb b/novice/shell/filesystem/users/vlad/data/pdb/mint.pdb new file mode 100644 index 0000000..f3c179f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/mint.pdb @@ -0,0 +1,36 @@ +COMPND (R)-HYDROXYDIHYDROCITRONELLAL +AUTHOR DAVE WOODCOCK 97 06 03 +ATOM 1 C 1 4.705 -0.311 -0.346 +ATOM 2 C 1 3.370 -0.064 0.370 +ATOM 3 C 1 2.226 -0.448 -0.585 +ATOM 4 C 1 0.837 -0.285 0.057 +ATOM 5 C 1 -0.260 -0.677 -0.940 +ATOM 6 C 1 -1.654 -0.501 -0.320 +ATOM 7 C 1 -2.726 -1.010 -1.291 +ATOM 8 C 1 -4.118 -0.952 -0.653 +ATOM 9 C 1 3.292 1.423 0.769 +ATOM 10 C 1 -1.912 0.971 0.007 +ATOM 11 O 1 -5.235 -1.111 -1.430 +ATOM 12 O 1 3.312 -0.870 1.530 +ATOM 13 H 1 4.515 -0.693 -1.349 +ATOM 14 H 1 5.289 -1.041 0.215 +ATOM 15 H 1 5.261 0.624 -0.413 +ATOM 16 H 1 2.335 -1.491 -0.882 +ATOM 17 H 1 2.261 0.188 -1.469 +ATOM 18 H 1 0.694 0.754 0.353 +ATOM 19 H 1 0.766 -0.927 0.935 +ATOM 20 H 1 -0.134 -1.721 -1.226 +ATOM 21 H 1 -0.189 -0.046 -1.826 +ATOM 22 H 1 -1.712 -1.068 0.609 +ATOM 23 H 1 -2.509 -2.043 -1.562 +ATOM 24 H 1 -2.728 -0.391 -2.188 +ATOM 25 H 1 -4.219 -0.787 0.409 +ATOM 26 H 1 3.353 2.043 -0.125 +ATOM 27 H 1 4.120 1.664 1.436 +ATOM 28 H 1 2.348 1.613 1.279 +ATOM 29 H 1 -1.854 1.562 -0.907 +ATOM 30 H 1 -1.162 1.323 0.716 +ATOM 31 H 1 -2.904 1.077 0.446 +ATOM 32 H 1 4.130 -0.614 2.188 +TER 33 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/morphine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/morphine.pdb new file mode 100644 index 0000000..ad05a2e --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/morphine.pdb @@ -0,0 +1,44 @@ +COMPND MORPHINE +AUTHOR DAVE WOODCOCK 97 03 17 +ATOM 1 C 1 0.205 1.266 -1.134 +ATOM 2 C 1 -0.284 2.165 -2.099 +ATOM 3 C 1 -1.562 2.753 -1.945 +ATOM 4 C 1 -2.380 2.407 -0.841 +ATOM 5 C 1 -1.872 1.519 0.115 +ATOM 6 C 1 -0.603 1.008 -0.018 +ATOM 7 C 1 -0.361 -0.061 0.993 +ATOM 8 C 1 0.589 -1.141 0.497 +ATOM 9 C 1 1.826 -0.446 -0.092 +ATOM 10 C 1 1.457 0.410 -1.353 +ATOM 11 C 1 -1.842 -0.443 1.259 +ATOM 12 C 1 0.304 0.606 2.203 +ATOM 13 C 1 1.641 1.260 1.781 +ATOM 14 N 1 2.490 0.319 1.002 +ATOM 15 C 1 3.778 0.959 0.609 +ATOM 16 H 1 0.915 -1.733 1.353 +ATOM 17 C 1 -0.061 -2.116 -0.469 +ATOM 18 C 1 -1.376 -2.518 -0.226 +ATOM 19 C 1 -2.410 -1.521 0.299 +ATOM 20 H 1 -1.939 -0.801 2.284 +ATOM 21 O 1 -2.606 0.768 1.078 +ATOM 22 H 1 -3.177 -2.075 0.841 +ATOM 23 O 1 -3.025 -0.945 -0.842 +ATOM 24 O 1 -3.711 2.880 -0.762 +ATOM 25 H 1 0.305 2.369 -2.981 +ATOM 26 H 1 -1.932 3.421 -2.710 +ATOM 27 H 1 2.513 -1.220 -0.440 +ATOM 28 H 1 1.218 -0.302 -2.155 +ATOM 29 H 1 2.299 1.087 -1.531 +ATOM 30 H 1 0.493 -0.137 2.981 +ATOM 31 H 1 -0.345 1.389 2.599 +ATOM 32 H 1 2.169 1.555 2.692 +ATOM 33 H 1 1.412 2.124 1.155 +ATOM 34 H 1 4.341 1.151 1.530 +ATOM 35 H 1 3.556 1.822 -0.030 +ATOM 36 H 1 4.369 0.275 0.003 +ATOM 37 H 1 0.580 -2.741 -1.073 +ATOM 38 H 1 -1.727 -3.421 -0.703 +ATOM 39 H 1 -3.565 -1.698 -1.399 +ATOM 40 H 1 -4.369 2.204 -1.290 +TER 41 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/mustard.pdb b/novice/shell/filesystem/users/vlad/data/pdb/mustard.pdb new file mode 100644 index 0000000..3393aaf --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/mustard.pdb @@ -0,0 +1,41 @@ +COMPND SINIGRIN +AUTHOR DAVE WOODCOCK 96 10 11 +ATOM 1 C 1 -3.194 1.453 -0.615 +ATOM 2 C 1 -4.200 1.391 0.546 +ATOM 3 C 1 -3.614 0.567 1.701 +ATOM 4 C 1 -2.247 1.146 2.079 +ATOM 5 C 1 -1.362 1.173 0.828 +ATOM 6 O 1 -1.958 1.986 -0.166 +ATOM 7 O 1 -1.648 0.356 3.089 +ATOM 8 O 1 -4.466 0.605 2.829 +ATOM 9 O 1 -5.420 0.820 0.110 +ATOM 10 C 1 -3.732 2.343 -1.742 +ATOM 11 O 1 -2.786 2.441 -2.787 +ATOM 12 H 1 -1.263 0.157 0.450 +ATOM 13 S 1 0.271 1.835 1.238 +ATOM 14 C 1 1.358 0.821 0.205 +ATOM 15 N 1 2.408 1.393 -0.407 +ATOM 16 O 1 3.386 0.528 -1.148 +ATOM 17 S 1 4.564 1.406 -1.776 +ATOM 18 O 1 5.498 0.470 -2.581 +ATOM 19 O 1 5.372 2.081 -0.641 +ATOM 20 C 1 1.258 -0.708 0.267 +ATOM 21 C 1 0.769 -1.246 -1.077 +ATOM 22 C 1 0.552 -2.614 -1.258 +ATOM 23 H 1 -3.031 0.448 -1.010 +ATOM 24 H 1 -4.396 2.404 0.900 +ATOM 25 H 1 -3.489 -0.469 1.380 +ATOM 26 H 1 -2.375 2.163 2.452 +ATOM 27 H 1 -1.505 -0.657 2.741 +ATOM 28 H 1 -5.370 0.046 2.634 +ATOM 29 H 1 -5.258 -0.185 -0.252 +ATOM 30 H 1 -3.933 3.342 -1.354 +ATOM 31 H 1 -4.656 1.922 -2.140 +ATOM 32 H 1 -2.620 1.468 -3.228 +ATOM 33 H 1 0.555 -1.008 1.048 +ATOM 34 H 1 2.235 -1.142 0.494 +ATOM 35 H 1 0.591 -0.533 -1.949 +ATOM 36 H 1 0.214 -2.992 -2.221 +ATOM 37 H 1 0.718 -3.300 -0.438 +TER 38 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/nerol.pdb b/novice/shell/filesystem/users/vlad/data/pdb/nerol.pdb new file mode 100644 index 0000000..080b431 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/nerol.pdb @@ -0,0 +1,33 @@ +COMPND NEROL +AUTHOR DAVE WOODCOCK 96 12 20 +ATOM 1 C 1 3.275 -1.876 -0.001 +ATOM 2 C 1 3.290 -0.347 -0.003 +ATOM 3 C 1 2.099 0.401 -0.001 +ATOM 4 C 1 2.235 1.941 -0.001 +ATOM 5 C 1 0.744 -0.317 0.002 +ATOM 6 C 1 -0.464 0.627 0.000 +ATOM 7 C 1 -1.781 -0.150 0.000 +ATOM 8 C 1 -3.014 0.522 0.000 +ATOM 9 C 1 -4.311 -0.290 0.000 +ATOM 10 C 1 -3.067 2.051 0.000 +ATOM 11 O 1 4.600 -2.373 0.001 +ATOM 12 H 1 2.763 -2.241 -0.892 +ATOM 13 H 1 2.757 -2.241 0.886 +ATOM 14 H 1 4.235 0.178 -0.010 +ATOM 15 H 1 2.817 2.219 -0.882 +ATOM 16 H 1 2.820 2.219 0.879 +ATOM 17 H 1 1.237 2.381 0.000 +ATOM 18 H 1 0.683 -0.947 0.890 +ATOM 19 H 1 0.682 -0.953 -0.881 +ATOM 20 H 1 -0.419 1.275 -0.875 +ATOM 21 H 1 -0.420 1.278 0.872 +ATOM 22 H 1 -1.758 -1.230 0.001 +ATOM 23 H 1 -4.341 -0.921 0.889 +ATOM 24 H 1 -4.341 -0.921 -0.889 +ATOM 25 H 1 -5.171 0.380 0.000 +ATOM 26 H 1 -2.562 2.432 -0.888 +ATOM 27 H 1 -2.564 2.432 0.889 +ATOM 28 H 1 -4.104 2.386 -0.001 +ATOM 29 H 1 5.094 -2.106 0.924 +TER 30 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/norethindrone.pdb b/novice/shell/filesystem/users/vlad/data/pdb/norethindrone.pdb new file mode 100644 index 0000000..2b6c862 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/norethindrone.pdb @@ -0,0 +1,51 @@ +COMPND Norethindrone +AUTHOR DAVE WOODCOCK 97 07 26 +ATOM 1 C 1 -1.594 -1.694 0.363 +ATOM 2 C 1 -2.334 -1.616 1.720 +ATOM 3 C 1 -3.753 -2.210 1.582 +ATOM 4 C 1 -4.473 -1.398 0.442 +ATOM 5 C 1 -3.796 -0.974 -0.653 +ATOM 6 C 1 -2.468 -1.131 -0.767 +ATOM 7 C 1 -1.821 -0.885 -2.125 +ATOM 8 C 1 -0.531 -0.093 -1.939 +ATOM 9 C 1 0.399 -0.853 -0.963 +ATOM 10 C 1 -0.271 -0.894 0.440 +ATOM 11 C 1 0.676 -1.490 1.526 +ATOM 12 C 1 2.043 -0.761 1.534 +ATOM 13 C 1 2.684 -0.790 0.159 +ATOM 14 C 1 1.740 -0.095 -0.797 +ATOM 15 C 1 3.910 0.103 -0.005 +ATOM 16 C 1 4.010 0.362 -1.558 +ATOM 17 C 1 2.562 0.131 -2.096 +ATOM 18 C 1 3.068 -2.198 -0.259 +ATOM 19 O 1 -5.767 -1.223 0.533 +ATOM 20 C 1 3.753 1.463 0.709 +ATOM 21 C 1 3.587 2.510 1.272 +ATOM 22 O 1 5.172 -0.566 0.483 +ATOM 23 H 1 -1.375 -2.735 0.125 +ATOM 24 H 1 -2.410 -0.575 2.038 +ATOM 25 H 1 -1.782 -2.185 2.467 +ATOM 26 H 1 -4.293 -2.189 2.532 +ATOM 27 H 1 -3.638 -3.244 1.257 +ATOM 28 H 1 -4.345 -0.525 -1.483 +ATOM 29 H 1 -1.630 -1.826 -2.643 +ATOM 30 H 1 -2.490 -0.266 -2.719 +ATOM 31 H 1 -0.737 0.925 -1.603 +ATOM 32 H 1 -0.059 -0.066 -2.920 +ATOM 33 H 1 0.554 -1.860 -1.349 +ATOM 34 H 1 -0.511 0.132 0.720 +ATOM 35 H 1 0.246 -1.457 2.527 +ATOM 36 H 1 0.848 -2.529 1.265 +ATOM 37 H 1 2.720 -1.274 2.216 +ATOM 38 H 1 1.917 0.270 1.863 +ATOM 39 H 1 1.524 0.872 -0.345 +ATOM 40 H 1 4.708 -0.317 -2.054 +ATOM 41 H 1 4.322 1.391 -1.732 +ATOM 42 H 1 2.564 -0.841 -2.578 +ATOM 43 H 1 2.174 0.891 -2.782 +ATOM 44 H 1 2.190 -2.833 -0.301 +ATOM 45 H 1 3.761 -2.594 0.480 +ATOM 46 H 1 3.550 -2.197 -1.232 +ATOM 47 H 1 3.459 3.468 1.774 +ATOM 48 H 1 5.259 -0.805 1.503 +TER 49 1 diff --git a/novice/shell/filesystem/users/vlad/data/pdb/octane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/octane.pdb new file mode 100644 index 0000000..581be2e --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/octane.pdb @@ -0,0 +1,30 @@ +COMPND OCTANE +AUTHOR DAVE WOODCOCK 96 01 05 +ATOM 1 C 1 -4.397 0.370 -0.255 1.00 0.00 +ATOM 2 C 1 -3.113 -0.447 -0.421 1.00 0.00 +ATOM 3 C 1 -1.896 0.386 -0.007 1.00 0.00 +ATOM 4 C 1 -0.611 -0.426 -0.198 1.00 0.00 +ATOM 5 C 1 0.608 0.405 0.216 1.00 0.00 +ATOM 6 C 1 1.892 -0.400 0.001 1.00 0.00 +ATOM 7 C 1 3.113 0.429 0.414 1.00 0.00 +ATOM 8 C 1 4.397 -0.374 0.199 1.00 0.00 +ATOM 9 H 1 -4.502 0.681 0.785 1.00 0.00 +ATOM 10 H 1 -5.254 -0.243 -0.537 1.00 0.00 +ATOM 11 H 1 -4.357 1.252 -0.895 1.00 0.00 +ATOM 12 H 1 -3.009 -0.741 -1.467 1.00 0.00 +ATOM 13 H 1 -3.172 -1.337 0.206 1.00 0.00 +ATOM 14 H 1 -1.992 0.668 1.044 1.00 0.00 +ATOM 15 H 1 -1.849 1.286 -0.621 1.00 0.00 +ATOM 16 H 1 -0.515 -0.707 -1.248 1.00 0.00 +ATOM 17 H 1 -0.659 -1.326 0.417 1.00 0.00 +ATOM 18 H 1 0.520 0.671 1.270 1.00 0.00 +ATOM 19 H 1 0.645 1.314 -0.386 1.00 0.00 +ATOM 20 H 1 1.979 -0.666 -1.054 1.00 0.00 +ATOM 21 H 1 1.855 -1.309 0.604 1.00 0.00 +ATOM 22 H 1 3.030 0.696 1.467 1.00 0.00 +ATOM 23 H 1 3.155 1.337 -0.188 1.00 0.00 +ATOM 24 H 1 4.493 -0.641 -0.854 1.00 0.00 +ATOM 25 H 1 4.368 -1.282 0.801 1.00 0.00 +ATOM 26 H 1 5.254 0.230 0.498 1.00 0.00 +TER 27 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/pentane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/pentane.pdb new file mode 100644 index 0000000..1eef172 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/pentane.pdb @@ -0,0 +1,21 @@ +COMPND PENTANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 2.484 -0.389 0.322 1.00 0.00 +ATOM 2 C 1 1.261 0.350 -0.243 1.00 0.00 +ATOM 3 C 1 -0.027 -0.348 0.199 1.00 0.00 +ATOM 4 C 1 -1.249 0.421 -0.326 1.00 0.00 +ATOM 5 C 1 -2.536 -0.311 0.047 1.00 0.00 +ATOM 6 H 1 2.471 -1.420 -0.033 1.00 0.00 +ATOM 7 H 1 2.443 -0.371 1.412 1.00 0.00 +ATOM 8 H 1 3.393 0.112 -0.016 1.00 0.00 +ATOM 9 H 1 1.324 0.350 -1.332 1.00 0.00 +ATOM 10 H 1 1.271 1.378 0.122 1.00 0.00 +ATOM 11 H 1 -0.074 -0.384 1.288 1.00 0.00 +ATOM 12 H 1 -0.048 -1.362 -0.205 1.00 0.00 +ATOM 13 H 1 -1.183 0.500 -1.412 1.00 0.00 +ATOM 14 H 1 -1.259 1.420 0.112 1.00 0.00 +ATOM 15 H 1 -2.608 -0.407 1.130 1.00 0.00 +ATOM 16 H 1 -2.540 -1.303 -0.404 1.00 0.00 +ATOM 17 H 1 -3.393 0.254 -0.321 1.00 0.00 +TER 18 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/piperine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/piperine.pdb new file mode 100644 index 0000000..bbd929d --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/piperine.pdb @@ -0,0 +1,44 @@ +COMPND Piperine +AUTHOR DAVE WOODCOCK 97 10 28 +ATOM 1 C 1 -4.603 -1.688 0.777 +ATOM 2 C 1 -3.225 -1.468 0.876 +ATOM 3 C 1 -2.651 -0.365 0.203 +ATOM 4 C 1 -3.497 0.506 -0.541 +ATOM 5 C 1 -4.880 0.263 -0.631 +ATOM 6 C 1 -5.413 -0.841 0.036 +ATOM 7 O 1 -6.747 -1.261 0.094 +ATOM 8 C 1 -6.709 -2.420 0.937 +ATOM 9 O 1 -5.366 -2.707 1.354 +ATOM 10 C 1 -1.258 -0.172 0.317 +ATOM 11 C 1 -0.531 0.773 -0.435 +ATOM 12 C 1 0.850 0.926 -0.242 +ATOM 13 C 1 1.582 1.845 -1.017 +ATOM 14 C 1 2.962 2.047 -0.845 +ATOM 15 O 1 3.657 1.304 0.073 +ATOM 16 N 1 3.657 3.047 -1.625 +ATOM 17 C 1 3.262 4.452 -1.275 +ATOM 18 C 1 3.860 5.430 -2.325 +ATOM 19 C 1 5.390 5.265 -2.442 +ATOM 20 C 1 5.681 3.803 -2.882 +ATOM 21 C 1 5.108 2.784 -1.844 +ATOM 22 H 1 -2.619 -2.146 1.458 +ATOM 23 H 1 -3.100 1.387 -1.021 +ATOM 24 H 1 -5.519 0.926 -1.192 +ATOM 25 H 1 -7.105 -3.276 0.389 +ATOM 26 H 1 -7.327 -2.242 1.818 +ATOM 27 H 1 -0.699 -0.805 0.993 +ATOM 28 H 1 -0.987 1.381 -1.204 +ATOM 29 H 1 1.390 0.353 0.499 +ATOM 30 H 1 1.086 2.442 -1.769 +ATOM 31 H 1 3.714 4.674 -0.302 +ATOM 32 H 1 2.168 4.534 -1.290 +ATOM 33 H 1 3.644 6.447 -1.994 +ATOM 34 H 1 3.395 5.262 -3.298 +ATOM 35 H 1 5.811 5.398 -1.445 +ATOM 36 H 1 5.827 5.997 -3.127 +ATOM 37 H 1 6.763 3.669 -2.935 +ATOM 38 H 1 5.229 3.624 -3.861 +ATOM 39 H 1 5.619 2.941 -0.891 +ATOM 40 H 1 5.249 1.758 -2.200 +TER 41 1 +END \ No newline at end of file diff --git a/novice/shell/filesystem/users/vlad/data/pdb/propane.pdb b/novice/shell/filesystem/users/vlad/data/pdb/propane.pdb new file mode 100644 index 0000000..21ad7c4 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/propane.pdb @@ -0,0 +1,15 @@ +COMPND PROPANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 1.241 0.444 0.349 1.00 0.00 +ATOM 2 C 1 -0.011 -0.441 0.333 1.00 0.00 +ATOM 3 C 1 -1.176 0.296 -0.332 1.00 0.00 +ATOM 4 H 1 1.516 0.699 -0.675 1.00 0.00 +ATOM 5 H 1 2.058 -0.099 0.827 1.00 0.00 +ATOM 6 H 1 1.035 1.354 0.913 1.00 0.00 +ATOM 7 H 1 -0.283 -0.691 1.359 1.00 0.00 +ATOM 8 H 1 0.204 -1.354 -0.225 1.00 0.00 +ATOM 9 H 1 -0.914 0.551 -1.359 1.00 0.00 +ATOM 10 H 1 -1.396 1.211 0.219 1.00 0.00 +ATOM 11 H 1 -2.058 -0.345 -0.332 1.00 0.00 +TER 12 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/pyridoxal.pdb b/novice/shell/filesystem/users/vlad/data/pdb/pyridoxal.pdb new file mode 100644 index 0000000..e95169f --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/pyridoxal.pdb @@ -0,0 +1,25 @@ +COMPND PYRIDOXAL, VITAMIN B6 +AUTHOR DAVE WOODCOCK 97 08 13 +ATOM 1 C 1 -1.057 -0.975 -0.516 +ATOM 2 C 1 -1.050 0.386 -0.392 +ATOM 3 C 1 0.103 1.044 -0.177 +ATOM 4 C 1 1.259 0.336 -0.094 +ATOM 5 C 1 1.224 -1.016 -0.244 +ATOM 6 N 1 0.096 -1.616 -0.438 +ATOM 7 C 1 0.164 2.365 -0.038 +ATOM 8 O 1 1.333 2.917 0.193 +ATOM 9 C 1 -2.426 1.134 -0.482 +ATOM 10 O 1 -2.902 1.495 0.840 +ATOM 11 O 1 2.533 1.039 0.137 +ATOM 12 C 1 2.541 -1.789 -0.182 +ATOM 13 H 1 -1.998 -1.512 -0.677 +ATOM 14 H 1 -0.698 3.029 -0.088 +ATOM 15 H 1 -3.199 0.485 -0.888 +ATOM 16 H 1 -2.386 2.043 -1.081 +ATOM 17 H 1 -2.154 2.076 1.288 +ATOM 18 H 1 2.694 1.081 1.173 +ATOM 19 H 1 3.005 -1.628 0.791 +ATOM 20 H 1 3.207 -1.430 -0.967 +ATOM 21 H 1 2.335 -2.850 -0.325 +TER 22 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/quinine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/quinine.pdb new file mode 100644 index 0000000..90c2659 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/quinine.pdb @@ -0,0 +1,52 @@ +COMPND QUININE +AUTHOR DAVE WOODCOCK 95 11 02 +ATOM 1 C 1 -3.080 -1.899 0.133 1.00 0.00 +ATOM 2 C 1 -2.208 -0.876 -0.337 1.00 0.00 +ATOM 3 C 1 -2.543 0.466 -0.048 1.00 0.00 +ATOM 4 C 1 -3.745 0.777 0.615 1.00 0.00 +ATOM 5 C 1 -4.618 -0.245 1.033 1.00 0.00 +ATOM 6 C 1 -4.275 -1.585 0.808 1.00 0.00 +ATOM 7 O 1 -4.122 2.122 0.826 1.00 0.00 +ATOM 8 C 1 -1.052 -1.254 -1.082 1.00 0.00 +ATOM 9 C 1 -0.856 -2.634 -1.300 1.00 0.00 +ATOM 10 C 1 -1.709 -3.594 -0.743 1.00 0.00 +ATOM 11 N 1 -2.801 -3.200 -0.072 1.00 0.00 +ATOM 12 C 1 -0.209 -0.308 -1.981 1.00 0.00 +ATOM 13 C 1 1.057 0.340 -1.355 1.00 0.00 +ATOM 14 O 1 -1.026 0.697 -2.556 1.00 0.00 +ATOM 15 C 1 2.184 0.473 -2.405 1.00 0.00 +ATOM 16 N 1 1.614 -0.307 -0.133 1.00 0.00 +ATOM 17 C 1 2.571 0.651 0.485 1.00 0.00 +ATOM 18 C 1 3.713 1.021 -0.485 1.00 0.00 +ATOM 19 C 1 3.545 0.185 -1.756 1.00 0.00 +ATOM 20 C 1 2.355 -1.553 -0.445 1.00 0.00 +ATOM 21 C 1 3.574 -1.285 -1.332 1.00 0.00 +ATOM 22 C 1 3.748 2.514 -0.840 1.00 0.00 +ATOM 23 C 1 4.814 3.033 -1.590 1.00 0.00 +ATOM 24 C 1 -5.435 2.165 1.550 1.00 0.00 +ATOM 25 H 1 -5.727 3.203 1.712 1.00 0.00 +ATOM 26 H 1 -1.868 1.271 -0.339 1.00 0.00 +ATOM 27 H 1 -5.556 0.007 1.527 1.00 0.00 +ATOM 28 H 1 -4.947 -2.381 1.129 1.00 0.00 +ATOM 29 H 1 -0.024 -2.976 -1.916 1.00 0.00 +ATOM 30 H 1 -1.484 -4.655 -0.857 1.00 0.00 +ATOM 31 H 1 0.151 -0.858 -2.851 1.00 0.00 +ATOM 32 H 1 0.808 1.332 -0.979 1.00 0.00 +ATOM 33 H 1 -1.474 1.263 -1.793 1.00 0.00 +ATOM 34 H 1 2.186 1.485 -2.808 1.00 0.00 +ATOM 35 H 1 2.014 -0.240 -3.212 1.00 0.00 +ATOM 36 H 1 3.010 0.203 1.377 1.00 0.00 +ATOM 37 H 1 2.045 1.565 0.759 1.00 0.00 +ATOM 38 H 1 4.673 0.803 -0.016 1.00 0.00 +ATOM 39 H 1 4.331 0.272 -2.506 1.00 0.00 +ATOM 40 H 1 1.697 -2.246 -0.970 1.00 0.00 +ATOM 41 H 1 2.701 -2.012 0.481 1.00 0.00 +ATOM 42 H 1 4.252 -0.603 -0.819 1.00 0.00 +ATOM 43 H 1 4.088 -2.224 -1.536 1.00 0.00 +ATOM 44 H 1 2.944 3.172 -0.510 1.00 0.00 +ATOM 45 H 1 4.837 4.094 -1.842 1.00 0.00 +ATOM 46 H 1 5.618 2.377 -1.921 1.00 0.00 +ATOM 47 H 1 -5.337 1.660 2.511 1.00 0.00 +ATOM 48 H 1 -6.196 1.663 0.952 1.00 0.00 +TER 50 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/strychnine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/strychnine.pdb new file mode 100644 index 0000000..b8d5822 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/strychnine.pdb @@ -0,0 +1,51 @@ +COMPND STRYCHNINE +AUTHOR DAVE WOODCOCK 97 03 17 +ATOM 1 C 1 -1.533 0.399 0.458 +ATOM 2 C 1 -0.808 -0.182 1.500 +ATOM 3 C 1 -1.463 -0.793 2.582 +ATOM 4 C 1 -2.869 -0.791 2.619 +ATOM 5 C 1 -3.605 -0.212 1.565 +ATOM 6 C 1 -2.942 0.378 0.472 +ATOM 7 C 1 0.640 -0.437 1.085 +ATOM 8 N 1 -0.711 0.708 -0.561 +ATOM 9 C 1 -0.949 1.596 -1.557 +ATOM 10 O 1 -2.133 2.285 -1.623 +ATOM 11 C 1 0.649 0.270 -0.292 +ATOM 12 C 1 0.213 2.126 -2.433 +ATOM 13 C 1 1.634 1.872 -1.881 +ATOM 14 H 1 0.933 -0.424 -1.080 +ATOM 15 C 1 1.521 1.522 -0.393 +ATOM 16 H 1 2.212 2.791 -1.992 +ATOM 17 O 1 2.246 0.843 -2.652 +ATOM 18 C 1 3.632 0.672 -2.408 +ATOM 19 C 1 3.863 -0.325 -1.272 +ATOM 20 C 1 3.502 -0.009 0.045 +ATOM 21 C 1 3.781 -0.997 1.191 +ATOM 22 C 1 2.829 1.329 0.367 +ATOM 23 H 1 1.002 2.357 0.081 +ATOM 24 H 1 3.507 2.160 0.172 +ATOM 25 C 1 2.432 1.320 1.837 +ATOM 26 C 1 1.703 0.007 2.124 +ATOM 27 C 1 0.879 -1.949 0.914 +ATOM 28 C 1 1.850 -2.311 2.023 +ATOM 29 N 1 2.679 -1.104 2.185 +ATOM 30 H 1 -0.900 -1.316 3.340 +ATOM 31 H 1 -3.387 -1.276 3.433 +ATOM 32 H 1 -4.684 -0.260 1.575 +ATOM 33 H 1 -3.516 0.712 -0.378 +ATOM 34 H 1 0.079 3.203 -2.529 +ATOM 35 H 1 0.120 1.700 -3.433 +ATOM 36 H 1 4.114 1.622 -2.176 +ATOM 37 H 1 4.095 0.278 -3.313 +ATOM 38 H 1 4.333 -1.274 -1.484 +ATOM 39 H 1 4.684 -0.667 1.705 +ATOM 40 H 1 4.017 -1.974 0.771 +ATOM 41 H 1 1.786 2.165 2.074 +ATOM 42 H 1 3.319 1.399 2.467 +ATOM 43 H 1 1.232 0.084 3.104 +ATOM 44 H 1 1.356 -2.190 -0.036 +ATOM 45 H 1 -0.035 -2.539 0.978 +ATOM 46 H 1 2.429 -3.203 1.787 +ATOM 47 H 1 1.308 -2.520 2.946 +TER 48 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/styrene.pdb b/novice/shell/filesystem/users/vlad/data/pdb/styrene.pdb new file mode 100644 index 0000000..a7cca30 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/styrene.pdb @@ -0,0 +1,20 @@ +COMPND STYRENE +AUTHOR DAVE WOODCOCK 96 07 05 +ATOM 1 C 1 1.195 0.373 -0.084 1.00 0.00 +ATOM 2 C 1 1.241 1.771 -0.210 1.00 0.00 +ATOM 3 C 1 0.052 2.516 -0.242 1.00 0.00 +ATOM 4 C 1 -1.182 1.856 -0.149 1.00 0.00 +ATOM 5 C 1 -1.231 0.457 -0.022 1.00 0.00 +ATOM 6 C 1 -0.042 -0.301 0.012 1.00 0.00 +ATOM 7 C 1 -0.016 -1.708 0.139 1.00 0.00 +ATOM 8 C 1 -1.157 -2.523 0.242 1.00 0.00 +ATOM 9 H 1 2.121 -0.184 -0.062 1.00 0.00 +ATOM 10 H 1 2.194 2.275 -0.283 1.00 0.00 +ATOM 11 H 1 0.086 3.591 -0.339 1.00 0.00 +ATOM 12 H 1 -2.099 2.426 -0.175 1.00 0.00 +ATOM 13 H 1 -2.194 -0.020 0.050 1.00 0.00 +ATOM 14 H 1 0.946 -2.202 0.160 1.00 0.00 +ATOM 15 H 1 -1.031 -3.591 0.337 1.00 0.00 +ATOM 16 H 1 -2.153 -2.112 0.229 1.00 0.00 +TER 17 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/sucrose.pdb b/novice/shell/filesystem/users/vlad/data/pdb/sucrose.pdb new file mode 100644 index 0000000..931455a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/sucrose.pdb @@ -0,0 +1,49 @@ +COMPND SUCROSE +AUTHOR DAVE WOODCOCK 96 10 15 +ATOM 1 C 1 -1.757 1.179 0.017 +ATOM 2 C 1 -2.934 1.259 0.995 +ATOM 3 C 1 -2.689 0.344 2.205 +ATOM 4 C 1 -1.373 0.737 2.882 +ATOM 5 C 1 -0.218 0.668 1.879 +ATOM 6 O 1 -0.485 1.553 0.704 +ATOM 7 H 1 0.663 1.023 2.398 +ATOM 8 O 1 -0.070 -0.757 1.449 +ATOM 9 C 1 1.268 -1.259 0.961 +ATOM 10 C 1 1.080 -1.839 -0.458 +ATOM 11 C 1 2.471 -0.289 0.991 +ATOM 12 O 1 1.716 -2.382 1.846 +ATOM 13 C 1 3.195 -2.544 1.624 +ATOM 14 C 1 3.694 -1.234 0.957 +ATOM 15 H 1 -1.668 0.153 -0.335 +ATOM 16 H 1 -3.033 2.285 1.347 +ATOM 17 H 1 -2.619 -0.690 1.870 +ATOM 18 H 1 -1.452 1.757 3.255 +ATOM 19 H 1 0.580 -1.102 -1.086 +ATOM 20 H 1 2.039 -2.099 -0.902 +ATOM 21 H 1 2.456 0.400 0.146 +ATOM 22 H 1 3.374 -3.389 0.958 +ATOM 23 H 1 4.532 -0.796 1.500 +ATOM 24 C 1 3.862 -2.819 2.989 +ATOM 25 O 1 5.311 -3.228 2.781 +ATOM 26 O 1 4.102 -1.521 -0.458 +ATOM 27 O 1 2.579 0.469 2.282 +ATOM 28 O 1 0.242 -3.076 -0.372 +ATOM 29 C 1 -1.998 2.070 -1.194 +ATOM 30 O 1 -0.904 1.923 -2.173 +ATOM 31 O 1 -4.207 0.882 0.314 +ATOM 32 O 1 -3.816 0.466 3.183 +ATOM 33 O 1 -1.096 -0.190 4.027 +ATOM 34 H 1 3.321 -3.626 3.486 +ATOM 35 H 1 3.807 -1.926 3.611 +ATOM 36 H 1 5.879 -2.443 2.375 +ATOM 37 H 1 4.441 -0.641 -0.920 +ATOM 38 H 1 2.511 -0.188 3.097 +ATOM 39 H 1 -0.685 -2.836 0.060 +ATOM 40 H 1 -1.962 3.102 -0.851 +ATOM 41 H 1 -2.964 1.864 -1.657 +ATOM 42 H 1 -1.138 2.578 -2.959 +ATOM 43 H 1 -4.159 -0.104 -0.041 +ATOM 44 H 1 -4.710 0.189 2.707 +ATOM 45 H 1 -0.979 -1.176 3.684 +TER 46 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/testosterone.pdb b/novice/shell/filesystem/users/vlad/data/pdb/testosterone.pdb new file mode 100644 index 0000000..44cde03 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/testosterone.pdb @@ -0,0 +1,53 @@ +COMPND TESTOSTERONE +AUTHOR DAVE WOODCOCK 97 08 06 +ATOM 1 C 1 -1.694 0.623 -0.129 +ATOM 2 C 1 -2.422 1.241 -1.367 +ATOM 3 C 1 -3.967 1.285 -1.174 +ATOM 4 C 1 -4.400 -0.211 -0.803 +ATOM 5 C 1 -3.591 -1.066 -0.107 +ATOM 6 C 1 -2.336 -0.714 0.242 +ATOM 7 C 1 -1.570 -1.599 1.216 +ATOM 8 C 1 -0.153 -1.802 0.721 +ATOM 9 C 1 0.538 -0.468 0.552 +ATOM 10 C 1 -0.200 0.372 -0.512 +ATOM 11 C 1 0.528 1.686 -0.918 +ATOM 12 C 1 2.004 1.407 -1.294 +ATOM 13 C 1 2.699 0.676 -0.125 +ATOM 14 C 1 1.983 -0.638 0.108 +ATOM 15 C 1 4.116 0.144 -0.488 +ATOM 16 C 1 4.351 -0.991 0.553 +ATOM 17 C 1 2.926 -1.387 1.034 +ATOM 18 C 1 -1.836 1.597 1.079 +ATOM 19 C 1 2.800 1.586 1.130 +ATOM 20 O 1 -5.611 -0.584 -1.156 +ATOM 21 O 1 5.194 1.214 -0.436 +ATOM 22 H 1 -2.185 0.675 -2.269 +ATOM 23 H 1 -2.074 2.265 -1.491 +ATOM 24 H 1 -4.475 1.695 -2.053 +ATOM 25 H 1 -4.166 1.941 -0.327 +ATOM 26 H 1 -3.960 -2.056 0.175 +ATOM 27 H 1 -1.662 -1.308 2.269 +ATOM 28 H 1 -1.972 -2.585 1.011 +ATOM 29 H 1 -0.145 -2.408 -0.187 +ATOM 30 H 1 0.345 -2.332 1.528 +ATOM 31 H 1 0.527 0.034 1.515 +ATOM 32 H 1 -0.210 -0.251 -1.405 +ATOM 33 H 1 0.033 2.194 -1.746 +ATOM 34 H 1 0.540 2.348 -0.058 +ATOM 35 H 1 2.508 2.364 -1.426 +ATOM 36 H 1 2.069 0.827 -2.216 +ATOM 37 H 1 1.974 -1.178 -0.838 +ATOM 38 H 1 4.083 -0.295 -1.487 +ATOM 39 H 1 4.911 -0.596 1.401 +ATOM 40 H 1 4.878 -1.845 0.122 +ATOM 41 H 1 2.754 -2.448 0.859 +ATOM 42 H 1 2.762 -1.128 2.081 +ATOM 43 H 1 -2.874 1.668 1.403 +ATOM 44 H 1 -1.502 2.585 0.767 +ATOM 45 H 1 -1.231 1.265 1.922 +ATOM 46 H 1 1.824 1.847 1.534 +ATOM 47 H 1 3.322 2.497 0.836 +ATOM 48 H 1 3.380 1.091 1.907 +ATOM 49 H 1 5.388 1.514 0.551 +TER 50 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/thiamine.pdb b/novice/shell/filesystem/users/vlad/data/pdb/thiamine.pdb new file mode 100644 index 0000000..fdbb439 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/thiamine.pdb @@ -0,0 +1,42 @@ +COMPND THIAMIN CATION, VITAMIN B1 +AUTHOR DAVE WOODCOCK 97 08 06 +ATOM 1 C 1 -2.282 -1.745 -1.009 +ATOM 2 C 1 -1.930 -0.705 -0.131 +ATOM 3 C 1 -2.871 0.333 0.072 +ATOM 4 N 1 -4.082 0.243 -0.522 +ATOM 5 C 1 -4.417 -0.817 -1.284 +ATOM 6 N 1 -3.516 -1.784 -1.551 +ATOM 7 C 1 -5.837 -0.923 -1.849 +ATOM 8 N 1 -2.553 1.511 0.872 +ATOM 9 C 1 -0.616 -0.794 0.634 +ATOM 10 N 1 0.443 0.160 0.303 +ATOM 11 C 1 1.588 0.205 0.935 +ATOM 12 C 1 2.536 1.106 0.375 +ATOM 13 S 1 1.835 2.031 -0.997 +ATOM 14 C 1 0.350 0.982 -0.770 +ATOM 15 C 1 1.942 -0.673 2.157 +ATOM 16 C 1 3.982 1.223 0.821 +ATOM 17 C 1 4.910 1.609 -0.347 +ATOM 18 O 1 6.257 1.588 0.073 +ATOM 19 H 1 -1.599 -2.557 -1.212 +ATOM 20 H 1 -4.812 1.025 -0.370 +ATOM 21 H 1 -3.785 -2.614 -2.189 +ATOM 22 H 1 -5.908 -0.329 -2.760 +ATOM 23 H 1 -6.551 -0.549 -1.115 +ATOM 24 H 1 -6.073 -1.963 -2.078 +ATOM 25 H 1 -2.012 2.231 0.258 +ATOM 26 H 1 -1.966 1.257 1.754 +ATOM 27 H 1 -3.462 1.973 1.257 +ATOM 28 H 1 -0.164 -1.783 0.539 +ATOM 29 H 1 -0.805 -0.652 1.696 +ATOM 30 H 1 -0.515 1.001 -1.421 +ATOM 31 H 1 2.283 -1.643 1.789 +ATOM 32 H 1 1.038 -0.774 2.760 +ATOM 33 H 1 2.744 -0.203 2.730 +ATOM 34 H 1 4.337 0.278 1.231 +ATOM 35 H 1 4.072 1.973 1.606 +ATOM 36 H 1 4.660 2.614 -0.691 +ATOM 37 H 1 4.775 0.898 -1.163 +ATOM 38 H 1 6.551 0.579 0.327 +TER 39 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/tnt.pdb b/novice/shell/filesystem/users/vlad/data/pdb/tnt.pdb new file mode 100644 index 0000000..0626c8d --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/tnt.pdb @@ -0,0 +1,25 @@ +COMPND 2,4,6-TRINITROTOLUENE +AUTHOR DAVE WOODCOCK 96 07 05 +ATOM 1 C 1 1.183 -0.757 -0.174 1.00 0.00 +ATOM 2 C 1 1.212 0.643 -0.175 1.00 0.00 +ATOM 3 C 1 0.015 1.368 -0.204 1.00 0.00 +ATOM 4 C 1 -1.211 0.693 -0.232 1.00 0.00 +ATOM 5 C 1 -1.240 -0.706 -0.231 1.00 0.00 +ATOM 6 C 1 -0.043 -1.431 -0.201 1.00 0.00 +ATOM 7 N 1 -0.071 -2.771 -0.200 1.00 0.00 +ATOM 8 O 1 1.126 -3.496 -0.171 1.00 0.00 +ATOM 9 O 1 -1.297 -3.446 -0.228 1.00 0.00 +ATOM 10 N 1 2.386 1.289 -0.148 1.00 0.00 +ATOM 11 O 1 2.415 2.689 -0.150 1.00 0.00 +ATOM 12 O 1 3.583 0.564 -0.119 1.00 0.00 +ATOM 13 N 1 -2.357 1.387 -0.260 1.00 0.00 +ATOM 14 O 1 -3.583 0.713 -0.288 1.00 0.00 +ATOM 15 O 1 -2.328 2.787 -0.262 1.00 0.00 +ATOM 16 C 1 0.047 2.894 -0.206 1.00 0.00 +ATOM 17 H 1 2.107 -1.316 -0.150 1.00 0.00 +ATOM 18 H 1 -2.187 -1.227 -0.252 1.00 0.00 +ATOM 19 H 1 0.995 3.237 -0.619 1.00 0.00 +ATOM 20 H 1 -0.059 3.260 0.816 1.00 0.00 +ATOM 21 H 1 -0.773 3.273 -0.816 1.00 0.00 +TER 22 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/tuberin.pdb b/novice/shell/filesystem/users/vlad/data/pdb/tuberin.pdb new file mode 100644 index 0000000..9dd71a7 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/tuberin.pdb @@ -0,0 +1,54 @@ +COMPND c10h11no2 +AUTHOR Created by Dave Woodcock at Okanagan University College +AUTHOR email:woodcock@okanagan.bc.ca +AUTHOR GENERATED BY BABEL 1.6 +ATOM 1 C UNK 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C UNK 1 1.406 0.000 0.000 1.00 0.00 +ATOM 3 C UNK 1 2.129 1.211 0.000 1.00 0.00 +ATOM 4 C UNK 1 1.414 2.425 0.000 1.00 0.00 +ATOM 5 C UNK 1 0.007 2.425 0.000 1.00 0.00 +ATOM 6 C UNK 1 -0.712 1.215 0.000 1.00 0.00 +ATOM 7 O UNK 1 -2.136 1.303 0.000 1.00 0.00 +ATOM 8 C UNK 1 -2.848 0.078 0.000 1.00 0.00 +ATOM 9 C UNK 1 3.543 1.136 0.000 1.00 0.00 +ATOM 10 C UNK 1 4.403 2.250 0.000 1.00 0.00 +ATOM 11 N UNK 1 5.740 2.075 0.000 1.00 0.00 +ATOM 12 C UNK 1 6.578 3.126 0.000 1.00 0.00 +ATOM 13 O UNK 1 7.928 2.916 0.000 1.00 0.00 +ATOM 14 H UNK 1 -0.518 -0.945 0.000 1.00 0.00 +ATOM 15 H UNK 1 1.937 -0.942 0.000 1.00 0.00 +ATOM 16 H UNK 1 1.921 3.375 0.000 1.00 0.00 +ATOM 17 H UNK 1 -0.529 3.363 0.000 1.00 0.00 +ATOM 18 H UNK 1 -2.581 -0.527 0.867 1.00 0.00 +ATOM 19 H UNK 1 -2.581 -0.527 -0.867 1.00 0.00 +ATOM 20 H UNK 1 -3.914 0.315 0.000 1.00 0.00 +ATOM 21 H UNK 1 3.988 0.151 0.000 1.00 0.00 +ATOM 22 H UNK 1 3.978 3.241 0.000 1.00 0.00 +ATOM 23 H UNK 1 6.096 1.051 0.000 1.00 0.00 +ATOM 24 H UNK 1 6.154 4.122 0.000 1.00 0.00 +CONECT 1 2 6 14 +CONECT 2 1 3 15 +CONECT 3 2 4 9 +CONECT 4 3 5 16 +CONECT 5 4 6 17 +CONECT 6 1 5 7 +CONECT 7 6 8 +CONECT 8 7 18 19 20 +CONECT 9 3 10 21 +CONECT 10 9 11 22 +CONECT 11 10 12 23 +CONECT 12 11 13 24 +CONECT 13 12 +CONECT 14 1 +CONECT 15 2 +CONECT 16 4 +CONECT 17 5 +CONECT 18 8 +CONECT 19 8 +CONECT 20 8 +CONECT 21 9 +CONECT 22 10 +CONECT 23 11 +CONECT 24 12 +MASTER 0 0 0 0 0 0 0 0 24 0 24 0 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/tyrian-purple.pdb b/novice/shell/filesystem/users/vlad/data/pdb/tyrian-purple.pdb new file mode 100644 index 0000000..7ac7ec6 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/tyrian-purple.pdb @@ -0,0 +1,34 @@ +COMPND TYRIAN PURPLE +AUTHOR DAVE WOODCOCK 95 11 01 +ATOM 1 C 1 -2.842 -0.519 -0.133 1.00 0.00 +ATOM 2 C 1 -2.777 0.808 -0.163 1.00 0.00 +ATOM 3 C 1 -3.921 1.680 -0.135 1.00 0.00 +ATOM 4 C 1 -5.160 1.044 -0.070 1.00 0.00 +ATOM 5 C 1 -5.277 -0.381 -0.049 1.00 0.00 +ATOM 6 C 1 -4.125 -1.208 -0.079 1.00 0.00 +ATOM 7 C 1 -1.613 -1.051 -0.144 1.00 0.00 +ATOM 8 O 1 -1.280 -2.408 -0.113 1.00 0.00 +ATOM 9 C 1 -0.683 -0.007 -0.186 1.00 0.00 +ATOM 10 C 1 0.692 0.010 -0.194 1.00 0.00 +ATOM 11 N 1 -1.425 1.156 -0.200 1.00 0.00 +ATOM 12 N 1 1.434 -1.154 -0.155 1.00 0.00 +ATOM 13 C 1 1.624 1.050 -0.234 1.00 0.00 +ATOM 14 O 1 1.293 2.409 -0.269 1.00 0.00 +ATOM 15 C 1 2.853 0.519 -0.210 1.00 0.00 +ATOM 16 C 1 2.783 -0.811 -0.157 1.00 0.00 +ATOM 17 C 1 3.922 -1.682 -0.085 1.00 0.00 +ATOM 18 C 1 5.166 -1.048 -0.067 1.00 0.00 +ATOM 19 C 1 5.291 0.375 -0.141 1.00 0.00 +ATOM 20 C 1 4.138 1.201 -0.213 1.00 0.00 +ATOM 21 H 1 -3.799 2.759 -0.152 1.00 0.00 +ATOM 22 H 1 -6.274 -0.806 0.001 1.00 0.00 +ATOM 23 H 1 -4.349 -2.285 -0.050 1.00 0.00 +ATOM 24 H 1 -1.115 2.205 -0.216 1.00 0.00 +ATOM 25 H 1 1.121 -2.199 -0.096 1.00 0.00 +ATOM 26 H 1 3.797 -2.759 -0.029 1.00 0.00 +ATOM 27 H 1 6.288 0.802 -0.126 1.00 0.00 +ATOM 28 H 1 4.362 2.277 -0.250 1.00 0.00 +ATOM 29 BR 1 -6.747 2.106 0.006 1.00 0.00 +ATOM 30 BR 1 6.747 -2.112 0.082 1.00 0.00 +TER 31 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/vanillin.pdb b/novice/shell/filesystem/users/vlad/data/pdb/vanillin.pdb new file mode 100644 index 0000000..cb597b4 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/vanillin.pdb @@ -0,0 +1,23 @@ +COMPND VANILLIN +AUTHOR DAVE WOODCOCK 95 11 01 +ATOM 1 C 1 1.032 0.073 -0.001 1.00 0.00 +ATOM 2 C 1 1.032 1.473 -0.001 1.00 0.00 +ATOM 3 C 1 -0.181 2.173 -0.003 1.00 0.00 +ATOM 4 C 1 -1.393 1.473 -0.005 1.00 0.00 +ATOM 5 C 1 -1.393 0.073 -0.005 1.00 0.00 +ATOM 6 C 1 -0.181 -0.627 -0.003 1.00 0.00 +ATOM 7 O 1 -0.181 -2.037 -0.003 1.00 0.00 +ATOM 8 C 1 1.148 -2.507 -0.001 1.00 0.00 +ATOM 9 O 1 -2.614 -0.632 -0.007 1.00 0.00 +ATOM 10 C 1 2.244 2.173 0.001 1.00 0.00 +ATOM 11 O 1 2.244 3.543 0.001 1.00 0.00 +ATOM 12 H 1 1.967 -0.467 0.000 1.00 0.00 +ATOM 13 H 1 -0.181 3.253 -0.003 1.00 0.00 +ATOM 14 H 1 -2.329 2.013 -0.006 1.00 0.00 +ATOM 15 H 1 1.661 -2.143 0.890 1.00 0.00 +ATOM 16 H 1 1.664 -2.143 -0.890 1.00 0.00 +ATOM 17 H 1 1.148 -3.597 -0.001 1.00 0.00 +ATOM 18 H 1 -3.179 -0.371 -0.890 1.00 0.00 +ATOM 19 H 1 3.179 1.633 0.002 1.00 0.00 +TER 29 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/vinyl-chloride.pdb b/novice/shell/filesystem/users/vlad/data/pdb/vinyl-chloride.pdb new file mode 100644 index 0000000..7dc5e24 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/vinyl-chloride.pdb @@ -0,0 +1,10 @@ +COMPND CHLOROETHENE +AUTHOR JENNI WOODCOCK 97 07 31 +ATOM 1 C 1 -0.958 -0.216 0.345 +ATOM 2 C 1 0.268 0.216 -0.173 +ATOM 3 Cl 1 1.570 -0.940 -0.434 +ATOM 4 H 1 -1.106 -1.259 0.585 +ATOM 5 H 1 -1.757 0.493 0.505 +ATOM 6 H 1 0.416 1.259 -0.413 +TER 7 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/pdb/vitamin-a.pdb b/novice/shell/filesystem/users/vlad/data/pdb/vitamin-a.pdb new file mode 100644 index 0000000..87ef803 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/pdb/vitamin-a.pdb @@ -0,0 +1,55 @@ +COMPND VITAMIN A +AUTHOR DAVE WOODCOCK 97 03 17 +ATOM 1 C 1 -4.322 -0.225 -0.083 +ATOM 2 C 1 -5.496 -1.028 0.032 +ATOM 3 C 1 -6.900 -0.427 0.103 +ATOM 4 C 1 -6.894 1.007 0.608 +ATOM 5 C 1 -5.886 1.795 -0.219 +ATOM 6 C 1 -4.438 1.332 0.029 +ATOM 7 C 1 -4.019 1.807 1.437 +ATOM 8 C 1 -3.629 2.059 -1.044 +ATOM 9 C 1 -5.409 -2.558 0.048 +ATOM 10 C 1 -3.108 -0.890 -0.360 +ATOM 11 C 1 -1.819 -0.374 -0.094 +ATOM 12 C 1 -0.646 -1.096 -0.404 +ATOM 13 C 1 0.579 -0.383 -0.468 +ATOM 14 C 1 1.788 -0.987 -0.861 +ATOM 15 C 1 2.994 -0.265 -0.829 +ATOM 16 C 1 4.237 -0.901 -1.024 +ATOM 17 C 1 5.406 -0.117 -1.087 +ATOM 18 C 1 -0.696 -2.628 -0.641 +ATOM 19 C 1 4.311 -2.434 -1.137 +ATOM 20 C 1 6.794 -0.746 -1.278 +ATOM 21 O 1 7.789 0.254 -1.348 +ATOM 22 H 1 -7.522 -1.026 0.767 +ATOM 23 H 1 -7.342 -0.450 -0.893 +ATOM 24 H 1 -6.641 1.037 1.667 +ATOM 25 H 1 -7.887 1.439 0.484 +ATOM 26 H 1 -5.987 2.853 0.025 +ATOM 27 H 1 -6.135 1.668 -1.274 +ATOM 28 H 1 -4.520 1.220 2.206 +ATOM 29 H 1 -4.277 2.859 1.560 +ATOM 30 H 1 -2.950 1.704 1.600 +ATOM 31 H 1 -3.901 3.112 -1.116 +ATOM 32 H 1 -3.751 1.596 -2.024 +ATOM 33 H 1 -2.555 2.106 -0.869 +ATOM 34 H 1 -4.653 -2.892 0.760 +ATOM 35 H 1 -5.152 -2.930 -0.944 +ATOM 36 H 1 -6.372 -2.973 0.342 +ATOM 37 H 1 -3.181 -1.872 -0.798 +ATOM 38 H 1 -1.717 0.575 0.399 +ATOM 39 H 1 0.592 0.669 -0.212 +ATOM 40 H 1 1.791 -2.011 -1.198 +ATOM 41 H 1 2.966 0.797 -0.625 +ATOM 42 H 1 5.328 0.958 -1.004 +ATOM 43 H 1 -0.807 -2.839 -1.705 +ATOM 44 H 1 -1.523 -3.081 -0.095 +ATOM 45 H 1 0.211 -3.112 -0.282 +ATOM 46 H 1 3.849 -2.752 -2.072 +ATOM 47 H 1 3.779 -2.888 -0.300 +ATOM 48 H 1 5.340 -2.786 -1.119 +ATOM 49 H 1 6.808 -1.319 -2.206 +ATOM 50 H 1 7.018 -1.407 -0.440 +ATOM 51 H 1 7.867 0.766 -0.400 +TER 52 1 +END diff --git a/novice/shell/filesystem/users/vlad/data/planets.txt b/novice/shell/filesystem/users/vlad/data/planets.txt new file mode 100644 index 0000000..26fcd51 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/planets.txt @@ -0,0 +1,230 @@ +"Planet Name","Pl. Mass","Pl. Radius","Pl. Period", +"55 Cnc e","0.027","0.194","0.7365449", +"CoRoT-1 b","1.03","1.49","1.5089557", +"CoRoT-10 b","2.75","0.97","13.2406", +"CoRoT-11 b","2.33","1.43","2.99433", +"CoRoT-12 b","0.917","1.44","2.828042", +"CoRoT-13 b","1.308","0.885","4.03519", +"CoRoT-14 b","7.6","1.09","1.51214", +"CoRoT-16 b","0.535","1.17","5.35227", +"CoRoT-17 b","2.45","1.02","3.768125", +"CoRoT-18 b","3.47","1.31","1.9000693", +"CoRoT-19 b","1.11","1.45","3.89713", +"CoRoT-2 b","3.31","1.465","1.7429964", +"CoRoT-20 b","4.24","0.84","9.2", +"CoRoT-21 b","2.26","1.3","2.72474", +"CoRoT-23 b","2.8","1.05","3.6314", +"CoRoT-3 b","21.66","1.01","4.2568", +"CoRoT-4 b","0.72","1.19","9.20205", +"CoRoT-5 b","0.467","1.388","4.0378962", +"CoRoT-6 b","2.96","1.166","8.886593", +"CoRoT-7 b","0.0151","0.15","0.853585", +"CoRoT-8 b","0.22","0.57","6.21229", +"CoRoT-9 b","0.84","1.05","95.2738", +"GJ 1214 b","0.02","0.245","1.58040482", +"GJ 436 b","0.0737","0.365","2.6438986", +"HAT-P-1 b","0.524","1.217","4.4652934", +"HAT-P-11 b","0.081","0.452","4.887804", +"HAT-P-12 b","0.211","0.959","3.2130598", +"HAT-P-13 b","0.85","1.28","2.916243", +"HAT-P-14 b","2.2","1.2","4.627657", +"HAT-P-15 b","1.946","1.072","10.863502", +"HAT-P-16 b","4.193","1.289","2.77596", +"HAT-P-17 b","0.53","1.01","10.338523", +"HAT-P-18 b","0.197","0.995","5.508023", +"HAT-P-19 b","0.292","1.132","4.008778", +"HAT-P-2 b","8.74","0.951","5.6334729", +"HAT-P-20 b","7.246","0.867","2.875317", +"HAT-P-21 b","4.063","1.024","4.124461", +"HAT-P-22 b","2.147","1.08","3.21222", +"HAT-P-23 b","2.09","1.368","1.212884", +"HAT-P-24 b","0.685","1.242","3.35524", +"HAT-P-25 b","0.567","1.19","3.652836", +"HAT-P-26 b","0.059","0.565","4.234516", +"HAT-P-27/WASP-40 b","0.66","1.055","3.0395721", +"HAT-P-28 b","0.626","1.212","3.257215", +"HAT-P-29 b","0.778","1.107","5.72318", +"HAT-P-3 b","0.591","0.827","2.899703", +"HAT-P-30/WASP-51 b","0.711","1.34","2.810595", +"HAT-P-31 b","2.171","1.07","5.005425", +"HAT-P-32 b","0.941","2.037","2.150009", +"HAT-P-33 b","0.763","1.827","3.474474", +"HAT-P-34 b","3.328","1.107","5.452654", +"HAT-P-35 b","1.054","1.332","3.646706", +"HAT-P-36 b","1.832","1.264","1.327347", +"HAT-P-37 b","1.169","1.178","2.797436", +"HAT-P-38 b","0.267","0.825","4.640382", +"HAT-P-4 b","0.68","1.27","3.0565114", +"HAT-P-5 b","1.06","1.26","2.788491", +"HAT-P-6 b","1.057","1.33","3.853003", +"HAT-P-7 b","1.8","1.421","2.2047298", +"HAT-P-8 b","1.34","1.5","3.0763402", +"HAT-P-9 b","0.67","1.4","3.922814", +"HD 149026 b","0.356","0.718","2.8758916", +"HD 17156 b","3.191","1.095","21.2163979", +"HD 189733 b","1.138","1.138","2.21857312", +"HD 209458 b","0.714","1.38","3.52474859", +"HD 80606 b","3.94","0.921","111.43637", +"HD 97658 b","0.02","0.262","9.4957", +"Kepler-10 b","0.0143","0.127","0.837495", +"Kepler-10 c","0.063","0.199","45.29485", +"Kepler-11 b","0.01353","0.1762","10.30375", +"Kepler-11 c","0.0425","0.28175","13.02502", +"Kepler-11 d","0.01919","0.3068","22.68719", +"Kepler-11 e","0.02643","0.4043","31.9959", +"Kepler-11 f","0.007237","0.2335","46.68876", +"Kepler-11 g","0.95","0.3274","118.37774", +"Kepler-12 b","0.431","1.695","4.4379637", +"Kepler-14 b","8.4","1.136","6.790123", +"Kepler-15 b","0.66","0.96","4.942782", +"Kepler-16 (AB) b","0.333","0.7538","228.776", +"Kepler-17 b","2.45","1.312","1.4857108", +"Kepler-18 b","0.0217","0.179","3.504725", +"Kepler-18 c","0.054","0.49","7.64159", +"Kepler-18 d","0.052","0.62","14.85888", +"Kepler-19 b","0.064","0.198","9.2869944", +"Kepler-20 b","0.027","0.17","3.6961219", +"Kepler-20 c","0.051","0.27","10.854092", +"Kepler-20 d","0.06","0.25","77.61185", +"Kepler-20 e","0.0097","0.078","6.098493", +"Kepler-20 f","0.045","0.09","19.57706", +"Kepler-21 b","0.033","0.1459","2.785755", +"Kepler-22 b","0.11","0.21","289.8623", +"Kepler-23 b","0.8","0.17","7.1073", +"Kepler-23 c","2.7","0.29","10.7421", +"Kepler-24 b","1.6","0.21","8.1453", +"Kepler-24 c","1.6","0.25","12.3335", +"Kepler-25 b","12.7","0.23","6.2385", +"Kepler-25 c","4.16","0.4","12.7204", +"Kepler-26 b","0.38","0.32","12.2829", +"Kepler-26 c","0.375","0.32","17.2513", +"Kepler-27 b","9.11","0.36","15.3348", +"Kepler-27 c","13.8","0.44","31.3309", +"Kepler-28 b","1.51","0.32","5.9123", +"Kepler-28 c","1.36","0.3","8.9858", +"Kepler-29 b","0.4","0.32","10.3376", +"Kepler-29 c","0.3","0.26","13.2907", +"Kepler-30 b","0.2","0.33","29.329", +"Kepler-30 c","9.1","1.29","60.3251", +"Kepler-30 d","17","0.96","143.213", +"Kepler-31 b","6.8","0.38","20.8613", +"Kepler-31 c","4.7","0.38","42.6318", +"Kepler-32 b","4.1","0.37","5.90124", +"Kepler-32 c","0.5","0.33","8.7522", +"Kepler-33 b",,"0.16","5.66793", +"Kepler-33 c",,"0.29","13.17562", +"Kepler-33 d",,"0.48","21.77596", +"Kepler-33 e",,"0.36","31.7844", +"Kepler-33 f",,"0.4","41.02902", +"Kepler-34(AB) b","0.22","0.764","288.822", +"Kepler-35(AB) b","0.127","0.728","131.458", +"Kepler-4 b","0.077","0.357","3.21346", +"Kepler-5 b","2.114","1.431","3.54846", +"Kepler-6 b","0.669","1.323","3.234723", +"Kepler-7 b","0.433","1.614","4.885525", +"Kepler-8 b","0.603","1.419","3.52254", +"Kepler-9 b","0.252","0.842","19.243158", +"Kepler-9 c","0.171","0.823","38.90861", +"Kepler-9 d","0.022","0.147","1.592851", +"KIC 10905746 b",,"0.237","9.8844", +"KIC 6185331 b",,"0.72","49.76971", +"KOI-135 b","3.23","1.2","3.024095", +"KOI-196 b","0.49","0.841","1.855558", +"KOI-204 b","1.02","1.24","3.24674", +"KOI-254 b","0.505","0.96","2.455239", +"KOI-423 b","18","1.22","21.0874", +"KOI-428 b","2.2","1.17","6.87349", +"KOI-730 b",,"0.31","14.7903", +"KOI-730 c",,"0.23","9.8499", +"KOI-730 d",,"0.25","19.7216", +"KOI-730 e",,"0.18","7.3831", +"KOI-961 b","0.009","0.07","1.2137672", +"KOI-961 c","0.006","0.065","0.45328509", +"KOI-961 d","0.003","0.051","1.856169", +"OGLE-TR-10 b","0.68","1.72","3.10129", +"OGLE-TR-111 b","0.54","1.077","4.01451", +"OGLE-TR-113 b","1.24","1.11","1.4324772", +"OGLE-TR-132 b","1.17","1.23","1.689868", +"OGLE-TR-182 b","1.06","1.47","3.9791", +"OGLE-TR-211 b","0.75","1.26","3.67724", +"OGLE-TR-56 b","1.3","1.2","1.211909", +"OGLE2-TR-L9 b","4.34","1.614","2.4855335", +"Qatar-1 b","1.09","1.164","1.420033", +"Qatar-2 b","2.487","1.144","1.3371182", +"SWEEPS-04 ","3.8","0.81","4.2", +"SWEEPS-11 ","9.7","1.13","1.796", +"TrES-1 ","0.761","1.099","3.0300722", +"TrES-2 ","1.253","1.169","2.470614", +"TrES-3 ","1.91","1.305","1.30618608", +"TrES-4 ","0.917","1.706","3.5539268", +"TrES-5 ","1.778","1.209","1.4822446", +"WASP-1 b","0.86","1.484","2.5199464", +"WASP-10 b","3.06","1.08","3.0927616", +"WASP-11/HAT-P-10 b","0.46","1.045","3.722469", +"WASP-12 b","1.404","1.736","1.0914222", +"WASP-13 b","0.485","1.365","4.353011", +"WASP-14 b","7.341","1.281","2.2437661", +"WASP-15 b","0.542","1.428","3.7520656", +"WASP-16 b","0.855","1.008","3.1186009", +"WASP-17 b","0.486","1.991","3.735438", +"WASP-18 b","10.43","1.165","0.9414518", +"WASP-19 b","1.168","1.386","0.78884", +"WASP-2 b","0.847","1.079","2.15222144", +"WASP-20 b","0.3","0.9","4", +"WASP-21 b","0.3","1.21","4.322506", +"WASP-22 b","0.588","1.158","3.5327313", +"WASP-23 b","0.884","0.962","2.9444256", +"WASP-24 b","1.032","1.104","2.3412083", +"WASP-25 b","0.58","1.26","3.76483", +"WASP-26 b","1.028","1.281","2.7566004", +"WASP-28 b","0.91","1.12","3.408821", +"WASP-29 b","0.244","0.792","3.922727", +"WASP-3 b","2.06","1.454","1.8468372", +"WASP-31 b","0.478","1.537","3.405909", +"WASP-32 b","3.6","1.18","2.71865", +"WASP-33 b","4.59","1.438","1.21986967", +"WASP-34 b","0.59","1.22","4.3176782", +"WASP-35 b","0.72","1.32","3.161575", +"WASP-36 b","2.279","1.269","1.5373653", +"WASP-37 b","1.696","1.136","3.577471", +"WASP-38 b","2.712","1.079","6.871815", +"WASP-39 b","0.28","1.27","4.055259", +"WASP-4 b","1.1215","1.363","1.33823187", +"WASP-41 b","0.92","1.21","3.052394", +"WASP-42 b","0.6","1","5", +"WASP-43 b","1.78","0.93","0.813475", +"WASP-44 b","0.889","1.14","2.4238039", +"WASP-45 b","1.007","1.16","3.1260876", +"WASP-46 b","2.101","1.31","1.43037", +"WASP-47 b","1.1","1.2","4.1", +"WASP-48 b","0.98","1.67","2.143634", +"WASP-49 b","0.4","1.3","2.8", +"WASP-5 b","1.637","1.171","1.6284246", +"WASP-50 b","1.468","1.153","1.9550959", +"WASP-52 b","0.5","1.3","1.7", +"WASP-53 b","2.5","1.2","3.3", +"WASP-54 b","0.6","1.4","3.7", +"WASP-55 b","0.6","1.4","4.5", +"WASP-56 b","0.6","1.2","4.6", +"WASP-57 b","0.8","1.1","2.8", +"WASP-58 b","1.1","1.3","5", +"WASP-59 b","0.7","0.9","7.9", +"WASP-6 b","0.503","1.224","3.361006", +"WASP-60 b","0.5","0.9","4.3", +"WASP-61 b","1.7","1.4","3.8", +"WASP-62 b","0.5","1.5","4.4", +"WASP-63 b","0.3","1","4.4", +"WASP-64 b","1.2","0.7","1.6", +"WASP-65 b","1.6","1.3","2.3", +"WASP-66 b","1.9","1.5","4.1", +"WASP-67 b","0.4","1.7","4.6", +"WASP-68 b","0.8","0.9","5.1", +"WASP-69 b","0.3","1","3.9", +"WASP-7 b","0.96","1.33","4.9546416", +"WASP-70 b","0.6","0.8","3.7", +"WASP-8 b","2.244","1.038","8.158715", +"XO-1 b","0.9","1.184","3.9415128", +"XO-2 b","0.62","0.973","2.615838", +"XO-3 b","11.79","1.217","3.1915239", +"XO-4 b","1.72","1.34","4.1250823", +"XO-5 b","1.077","1.03","4.1877537", diff --git a/novice/shell/filesystem/users/vlad/data/sunspot.txt b/novice/shell/filesystem/users/vlad/data/sunspot.txt new file mode 100644 index 0000000..cda49d6 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/data/sunspot.txt @@ -0,0 +1,3080 @@ +(* Sunspot data collected by Robin McQuinn from *) +(* http://sidc.oma.be/html/sunspot.html *) + +(* Month: 1749 01 *) 58 +(* Month: 1749 02 *) 63 +(* Month: 1749 03 *) 70 +(* Month: 1749 04 *) 56 +(* Month: 1749 05 *) 85 +(* Month: 1749 06 *) 84 +(* Month: 1749 07 *) 95 +(* Month: 1749 08 *) 66 +(* Month: 1749 09 *) 76 +(* Month: 1749 10 *) 76 +(* Month: 1749 11 *) 159 +(* Month: 1749 12 *) 85 +(* Month: 1750 01 *) 73 +(* Month: 1750 02 *) 76 +(* Month: 1750 03 *) 89 +(* Month: 1750 04 *) 88 +(* Month: 1750 05 *) 90 +(* Month: 1750 06 *) 100 +(* Month: 1750 07 *) 85 +(* Month: 1750 08 *) 103 +(* Month: 1750 09 *) 91 +(* Month: 1750 10 *) 66 +(* Month: 1750 11 *) 63 +(* Month: 1750 12 *) 75 +(* Month: 1751 01 *) 70 +(* Month: 1751 02 *) 44 +(* Month: 1751 03 *) 45 +(* Month: 1751 04 *) 56 +(* Month: 1751 05 *) 61 +(* Month: 1751 06 *) 51 +(* Month: 1751 07 *) 66 +(* Month: 1751 08 *) 60 +(* Month: 1751 09 *) 24 +(* Month: 1751 10 *) 23 +(* Month: 1751 11 *) 29 +(* Month: 1751 12 *) 44 +(* Month: 1752 01 *) 35 +(* Month: 1752 02 *) 50 +(* Month: 1752 03 *) 71 +(* Month: 1752 04 *) 59 +(* Month: 1752 05 *) 60 +(* Month: 1752 06 *) 40 +(* Month: 1752 07 *) 78 +(* Month: 1752 08 *) 29 +(* Month: 1752 09 *) 27 +(* Month: 1752 10 *) 47 +(* Month: 1752 11 *) 38 +(* Month: 1752 12 *) 40 +(* Month: 1753 01 *) 44 +(* Month: 1753 02 *) 32 +(* Month: 1753 03 *) 46 +(* Month: 1753 04 *) 38 +(* Month: 1753 05 *) 36 +(* Month: 1753 06 *) 32 +(* Month: 1753 07 *) 22 +(* Month: 1753 08 *) 39 +(* Month: 1753 09 *) 28 +(* Month: 1753 10 *) 25 +(* Month: 1753 11 *) 20 +(* Month: 1753 12 *) 7 +(* Month: 1754 01 *) 0 +(* Month: 1754 02 *) 3 +(* Month: 1754 03 *) 2 +(* Month: 1754 04 *) 14 +(* Month: 1754 05 *) 21 +(* Month: 1754 06 *) 27 +(* Month: 1754 07 *) 19 +(* Month: 1754 08 *) 12 +(* Month: 1754 09 *) 8 +(* Month: 1754 10 *) 24 +(* Month: 1754 11 *) 13 +(* Month: 1754 12 *) 4 +(* Month: 1755 01 *) 10 +(* Month: 1755 02 *) 11 +(* Month: 1755 03 *) 7 +(* Month: 1755 04 *) 7 +(* Month: 1755 05 *) 0 +(* Month: 1755 06 *) 0 +(* Month: 1755 07 *) 9 +(* Month: 1755 08 *) 3 +(* Month: 1755 09 *) 18 +(* Month: 1755 10 *) 24 +(* Month: 1755 11 *) 7 +(* Month: 1755 12 *) 20 +(* Month: 1756 01 *) 13 +(* Month: 1756 02 *) 7 +(* Month: 1756 03 *) 5 +(* Month: 1756 04 *) 9 +(* Month: 1756 05 *) 13 +(* Month: 1756 06 *) 13 +(* Month: 1756 07 *) 4 +(* Month: 1756 08 *) 6 +(* Month: 1756 09 *) 12 +(* Month: 1756 10 *) 14 +(* Month: 1756 11 *) 17 +(* Month: 1756 12 *) 9 +(* Month: 1757 01 *) 14 +(* Month: 1757 02 *) 21 +(* Month: 1757 03 *) 26 +(* Month: 1757 04 *) 30 +(* Month: 1757 05 *) 38 +(* Month: 1757 06 *) 13 +(* Month: 1757 07 *) 25 +(* Month: 1757 08 *) 51 +(* Month: 1757 09 *) 40 +(* Month: 1757 10 *) 33 +(* Month: 1757 11 *) 65 +(* Month: 1757 12 *) 34 +(* Month: 1758 01 *) 38 +(* Month: 1758 02 *) 52 +(* Month: 1758 03 *) 49 +(* Month: 1758 04 *) 72 +(* Month: 1758 05 *) 46 +(* Month: 1758 06 *) 45 +(* Month: 1758 07 *) 44 +(* Month: 1758 08 *) 39 +(* Month: 1758 09 *) 63 +(* Month: 1758 10 *) 38 +(* Month: 1758 11 *) 43 +(* Month: 1758 12 *) 43 +(* Month: 1759 01 *) 48 +(* Month: 1759 02 *) 44 +(* Month: 1759 03 *) 47 +(* Month: 1759 04 *) 47 +(* Month: 1759 05 *) 49 +(* Month: 1759 06 *) 50 +(* Month: 1759 07 *) 51 +(* Month: 1759 08 *) 71 +(* Month: 1759 09 *) 77 +(* Month: 1759 10 *) 60 +(* Month: 1759 11 *) 46 +(* Month: 1759 12 *) 57 +(* Month: 1760 01 *) 67 +(* Month: 1760 02 *) 60 +(* Month: 1760 03 *) 75 +(* Month: 1760 04 *) 58 +(* Month: 1760 05 *) 72 +(* Month: 1760 06 *) 48 +(* Month: 1760 07 *) 66 +(* Month: 1760 08 *) 76 +(* Month: 1760 09 *) 61 +(* Month: 1760 10 *) 51 +(* Month: 1760 11 *) 60 +(* Month: 1760 12 *) 61 +(* Month: 1761 01 *) 70 +(* Month: 1761 02 *) 91 +(* Month: 1761 03 *) 81 +(* Month: 1761 04 *) 72 +(* Month: 1761 05 *) 107 +(* Month: 1761 06 *) 99 +(* Month: 1761 07 *) 94 +(* Month: 1761 08 *) 91 +(* Month: 1761 09 *) 101 +(* Month: 1761 10 *) 89 +(* Month: 1761 11 *) 90 +(* Month: 1761 12 *) 46 +(* Month: 1762 01 *) 44 +(* Month: 1762 02 *) 73 +(* Month: 1762 03 *) 46 +(* Month: 1762 04 *) 60 +(* Month: 1762 05 *) 40 +(* Month: 1762 06 *) 77 +(* Month: 1762 07 *) 34 +(* Month: 1762 08 *) 68 +(* Month: 1762 09 *) 69 +(* Month: 1762 10 *) 69 +(* Month: 1762 11 *) 78 +(* Month: 1762 12 *) 77 +(* Month: 1763 01 *) 57 +(* Month: 1763 02 *) 32 +(* Month: 1763 03 *) 34 +(* Month: 1763 04 *) 33 +(* Month: 1763 05 *) 33 +(* Month: 1763 06 *) 36 +(* Month: 1763 07 *) 54 +(* Month: 1763 08 *) 27 +(* Month: 1763 09 *) 68 +(* Month: 1763 10 *) 46 +(* Month: 1763 11 *) 61 +(* Month: 1763 12 *) 61 +(* Month: 1764 01 *) 60 +(* Month: 1764 02 *) 60 +(* Month: 1764 03 *) 40 +(* Month: 1764 04 *) 34 +(* Month: 1764 05 *) 44 +(* Month: 1764 06 *) 30 +(* Month: 1764 07 *) 30 +(* Month: 1764 08 *) 30 +(* Month: 1764 09 *) 28 +(* Month: 1764 10 *) 28 +(* Month: 1764 11 *) 26 +(* Month: 1764 12 *) 26 +(* Month: 1765 01 *) 24 +(* Month: 1765 02 *) 26 +(* Month: 1765 03 *) 25 +(* Month: 1765 04 *) 22 +(* Month: 1765 05 *) 20 +(* Month: 1765 06 *) 20 +(* Month: 1765 07 *) 27 +(* Month: 1765 08 *) 30 +(* Month: 1765 09 *) 16 +(* Month: 1765 10 *) 14 +(* Month: 1765 11 *) 14 +(* Month: 1765 12 *) 13 +(* Month: 1766 01 *) 12 +(* Month: 1766 02 *) 11 +(* Month: 1766 03 *) 37 +(* Month: 1766 04 *) 6 +(* Month: 1766 05 *) 27 +(* Month: 1766 06 *) 3 +(* Month: 1766 07 *) 3 +(* Month: 1766 08 *) 4 +(* Month: 1766 09 *) 4 +(* Month: 1766 10 *) 5 +(* Month: 1766 11 *) 6 +(* Month: 1766 12 *) 19 +(* Month: 1767 01 *) 27 +(* Month: 1767 02 *) 30 +(* Month: 1767 03 *) 43 +(* Month: 1767 04 *) 33 +(* Month: 1767 05 *) 30 +(* Month: 1767 06 *) 33 +(* Month: 1767 07 *) 22 +(* Month: 1767 08 *) 41 +(* Month: 1767 09 *) 43 +(* Month: 1767 10 *) 44 +(* Month: 1767 11 *) 55 +(* Month: 1767 12 *) 53 +(* Month: 1768 01 *) 54 +(* Month: 1768 02 *) 66 +(* Month: 1768 03 *) 46 +(* Month: 1768 04 *) 43 +(* Month: 1768 05 *) 78 +(* Month: 1768 06 *) 77 +(* Month: 1768 07 *) 53 +(* Month: 1768 08 *) 67 +(* Month: 1768 09 *) 75 +(* Month: 1768 10 *) 78 +(* Month: 1768 11 *) 91 +(* Month: 1768 12 *) 112 +(* Month: 1769 01 *) 74 +(* Month: 1769 02 *) 64 +(* Month: 1769 03 *) 64 +(* Month: 1769 04 *) 97 +(* Month: 1769 05 *) 74 +(* Month: 1769 06 *) 94 +(* Month: 1769 07 *) 119 +(* Month: 1769 08 *) 120 +(* Month: 1769 09 *) 149 +(* Month: 1769 10 *) 158 +(* Month: 1769 11 *) 148 +(* Month: 1769 12 *) 112 +(* Month: 1770 01 *) 104 +(* Month: 1770 02 *) 143 +(* Month: 1770 03 *) 80 +(* Month: 1770 04 *) 51 +(* Month: 1770 05 *) 70 +(* Month: 1770 06 *) 83 +(* Month: 1770 07 *) 110 +(* Month: 1770 08 *) 126 +(* Month: 1770 09 *) 104 +(* Month: 1770 10 *) 104 +(* Month: 1770 11 *) 132 +(* Month: 1770 12 *) 102 +(* Month: 1771 01 *) 36 +(* Month: 1771 02 *) 46 +(* Month: 1771 03 *) 47 +(* Month: 1771 04 *) 65 +(* Month: 1771 05 *) 153 +(* Month: 1771 06 *) 120 +(* Month: 1771 07 *) 68 +(* Month: 1771 08 *) 59 +(* Month: 1771 09 *) 101 +(* Month: 1771 10 *) 90 +(* Month: 1771 11 *) 100 +(* Month: 1771 12 *) 96 +(* Month: 1772 01 *) 101 +(* Month: 1772 02 *) 91 +(* Month: 1772 03 *) 31 +(* Month: 1772 04 *) 92 +(* Month: 1772 05 *) 38 +(* Month: 1772 06 *) 57 +(* Month: 1772 07 *) 77 +(* Month: 1772 08 *) 56 +(* Month: 1772 09 *) 51 +(* Month: 1772 10 *) 79 +(* Month: 1772 11 *) 61 +(* Month: 1772 12 *) 64 +(* Month: 1773 01 *) 55 +(* Month: 1773 02 *) 29 +(* Month: 1773 03 *) 51 +(* Month: 1773 04 *) 33 +(* Month: 1773 05 *) 41 +(* Month: 1773 06 *) 28 +(* Month: 1773 07 *) 28 +(* Month: 1773 08 *) 13 +(* Month: 1773 09 *) 29 +(* Month: 1773 10 *) 26 +(* Month: 1773 11 *) 41 +(* Month: 1773 12 *) 43 +(* Month: 1774 01 *) 47 +(* Month: 1774 02 *) 65 +(* Month: 1774 03 *) 56 +(* Month: 1774 04 *) 44 +(* Month: 1774 05 *) 51 +(* Month: 1774 06 *) 29 +(* Month: 1774 07 *) 18 +(* Month: 1774 08 *) 7 +(* Month: 1774 09 *) 8 +(* Month: 1774 10 *) 14 +(* Month: 1774 11 *) 18 +(* Month: 1774 12 *) 12 +(* Month: 1775 01 *) 4 +(* Month: 1775 02 *) 0 +(* Month: 1775 03 *) 12 +(* Month: 1775 04 *) 11 +(* Month: 1775 05 *) 4 +(* Month: 1775 06 *) 12 +(* Month: 1775 07 *) 1 +(* Month: 1775 08 *) 8 +(* Month: 1775 09 *) 3 +(* Month: 1775 10 *) 6 +(* Month: 1775 11 *) 15 +(* Month: 1775 12 *) 8 +(* Month: 1776 01 *) 22 +(* Month: 1776 02 *) 12 +(* Month: 1776 03 *) 6 +(* Month: 1776 04 *) 22 +(* Month: 1776 05 *) 11 +(* Month: 1776 06 *) 19 +(* Month: 1776 07 *) 1 +(* Month: 1776 08 *) 24 +(* Month: 1776 09 *) 16 +(* Month: 1776 10 *) 30 +(* Month: 1776 11 *) 35 +(* Month: 1776 12 *) 40 +(* Month: 1777 01 *) 45 +(* Month: 1777 02 *) 37 +(* Month: 1777 03 *) 39 +(* Month: 1777 04 *) 96 +(* Month: 1777 05 *) 80 +(* Month: 1777 06 *) 81 +(* Month: 1777 07 *) 95 +(* Month: 1777 08 *) 112 +(* Month: 1777 09 *) 116 +(* Month: 1777 10 *) 107 +(* Month: 1777 11 *) 146 +(* Month: 1777 12 *) 157 +(* Month: 1778 01 *) 177 +(* Month: 1778 02 *) 109 +(* Month: 1778 03 *) 134 +(* Month: 1778 04 *) 145 +(* Month: 1778 05 *) 239 +(* Month: 1778 06 *) 172 +(* Month: 1778 07 *) 153 +(* Month: 1778 08 *) 140 +(* Month: 1778 09 *) 172 +(* Month: 1778 10 *) 156 +(* Month: 1778 11 *) 150 +(* Month: 1778 12 *) 105 +(* Month: 1779 01 *) 115 +(* Month: 1779 02 *) 166 +(* Month: 1779 03 *) 118 +(* Month: 1779 04 *) 145 +(* Month: 1779 05 *) 140 +(* Month: 1779 06 *) 114 +(* Month: 1779 07 *) 143 +(* Month: 1779 08 *) 112 +(* Month: 1779 09 *) 111 +(* Month: 1779 10 *) 124 +(* Month: 1779 11 *) 114 +(* Month: 1779 12 *) 110 +(* Month: 1780 01 *) 70 +(* Month: 1780 02 *) 98 +(* Month: 1780 03 *) 98 +(* Month: 1780 04 *) 95 +(* Month: 1780 05 *) 107 +(* Month: 1780 06 *) 88 +(* Month: 1780 07 *) 86 +(* Month: 1780 08 *) 86 +(* Month: 1780 09 *) 94 +(* Month: 1780 10 *) 77 +(* Month: 1780 11 *) 60 +(* Month: 1780 12 *) 59 +(* Month: 1781 01 *) 99 +(* Month: 1781 02 *) 75 +(* Month: 1781 03 *) 53 +(* Month: 1781 04 *) 68 +(* Month: 1781 05 *) 105 +(* Month: 1781 06 *) 98 +(* Month: 1781 07 *) 74 +(* Month: 1781 08 *) 66 +(* Month: 1781 09 *) 51 +(* Month: 1781 10 *) 27 +(* Month: 1781 11 *) 67 +(* Month: 1781 12 *) 35 +(* Month: 1782 01 *) 54 +(* Month: 1782 02 *) 38 +(* Month: 1782 03 *) 37 +(* Month: 1782 04 *) 41 +(* Month: 1782 05 *) 54 +(* Month: 1782 06 *) 38 +(* Month: 1782 07 *) 37 +(* Month: 1782 08 *) 44 +(* Month: 1782 09 *) 34 +(* Month: 1782 10 *) 23 +(* Month: 1782 11 *) 32 +(* Month: 1782 12 *) 30 +(* Month: 1783 01 *) 28 +(* Month: 1783 02 *) 39 +(* Month: 1783 03 *) 27 +(* Month: 1783 04 *) 28 +(* Month: 1783 05 *) 23 +(* Month: 1783 06 *) 25 +(* Month: 1783 07 *) 32 +(* Month: 1783 08 *) 20 +(* Month: 1783 09 *) 18 +(* Month: 1783 10 *) 8 +(* Month: 1783 11 *) 15 +(* Month: 1783 12 *) 11 +(* Month: 1784 01 *) 13 +(* Month: 1784 02 *) 8 +(* Month: 1784 03 *) 11 +(* Month: 1784 04 *) 10 +(* Month: 1784 05 *) 6 +(* Month: 1784 06 *) 9 +(* Month: 1784 07 *) 6 +(* Month: 1784 08 *) 10 +(* Month: 1784 09 *) 10 +(* Month: 1784 10 *) 8 +(* Month: 1784 11 *) 17 +(* Month: 1784 12 *) 14 +(* Month: 1785 01 *) 7 +(* Month: 1785 02 *) 8 +(* Month: 1785 03 *) 9 +(* Month: 1785 04 *) 16 +(* Month: 1785 05 *) 21 +(* Month: 1785 06 *) 26 +(* Month: 1785 07 *) 36 +(* Month: 1785 08 *) 20 +(* Month: 1785 09 *) 32 +(* Month: 1785 10 *) 47 +(* Month: 1785 11 *) 40 +(* Month: 1785 12 *) 27 +(* Month: 1786 01 *) 37 +(* Month: 1786 02 *) 48 +(* Month: 1786 03 *) 48 +(* Month: 1786 04 *) 85 +(* Month: 1786 05 *) 92 +(* Month: 1786 06 *) 59 +(* Month: 1786 07 *) 83 + +(* Month: 1786 08 *) 90 +(* Month: 1786 09 *) 112 +(* Month: 1786 10 *) 112 +(* Month: 1786 11 *) 116 +(* Month: 1786 12 *) 113 +(* Month: 1787 01 *) 135 +(* Month: 1787 02 *) 106 +(* Month: 1787 03 *) 87 +(* Month: 1787 04 *) 127 +(* Month: 1787 05 *) 135 +(* Month: 1787 06 *) 99 +(* Month: 1787 07 *) 128 +(* Month: 1787 08 *) 137 +(* Month: 1787 09 *) 157 +(* Month: 1787 10 *) 157 +(* Month: 1787 11 *) 142 +(* Month: 1787 12 *) 174 +(* Month: 1788 01 *) 138 +(* Month: 1788 02 *) 129 +(* Month: 1788 03 *) 143 +(* Month: 1788 04 *) 109 +(* Month: 1788 05 *) 113 +(* Month: 1788 06 *) 154 +(* Month: 1788 07 *) 142 +(* Month: 1788 08 *) 136 +(* Month: 1788 09 *) 141 +(* Month: 1788 10 *) 142 +(* Month: 1788 11 *) 95 +(* Month: 1788 12 *) 130 +(* Month: 1789 01 *) 114 +(* Month: 1789 02 *) 125 +(* Month: 1789 03 *) 120 +(* Month: 1789 04 *) 123 +(* Month: 1789 05 *) 124 +(* Month: 1789 06 *) 120 +(* Month: 1789 07 *) 117 +(* Month: 1789 08 *) 103 +(* Month: 1789 09 *) 112 +(* Month: 1789 10 *) 90 +(* Month: 1789 11 *) 134 +(* Month: 1789 12 *) 136 +(* Month: 1790 01 *) 103 +(* Month: 1790 02 *) 128 +(* Month: 1790 03 *) 96 +(* Month: 1790 04 *) 94 +(* Month: 1790 05 *) 93 +(* Month: 1790 06 *) 91 +(* Month: 1790 07 *) 69 +(* Month: 1790 08 *) 87 +(* Month: 1790 09 *) 77 +(* Month: 1790 10 *) 84 +(* Month: 1790 11 *) 82 +(* Month: 1790 12 *) 74 +(* Month: 1791 01 *) 73 +(* Month: 1791 02 *) 62 +(* Month: 1791 03 *) 74 +(* Month: 1791 04 *) 77 +(* Month: 1791 05 *) 74 +(* Month: 1791 06 *) 64 +(* Month: 1791 07 *) 71 +(* Month: 1791 08 *) 43 +(* Month: 1791 09 *) 67 +(* Month: 1791 10 *) 62 +(* Month: 1791 11 *) 67 +(* Month: 1791 12 *) 66 +(* Month: 1792 01 *) 58 +(* Month: 1792 02 *) 64 +(* Month: 1792 03 *) 63 +(* Month: 1792 04 *) 76 +(* Month: 1792 05 *) 62 +(* Month: 1792 06 *) 61 +(* Month: 1792 07 *) 46 +(* Month: 1792 08 *) 60 +(* Month: 1792 09 *) 59 +(* Month: 1792 10 *) 59 +(* Month: 1792 11 *) 57 +(* Month: 1792 12 *) 56 +(* Month: 1793 01 *) 56 +(* Month: 1793 02 *) 55 +(* Month: 1793 03 *) 56 +(* Month: 1793 04 *) 53 +(* Month: 1793 05 *) 52 +(* Month: 1793 06 *) 51 +(* Month: 1793 07 *) 50 +(* Month: 1793 08 *) 29 +(* Month: 1793 09 *) 24 +(* Month: 1793 10 *) 47 +(* Month: 1793 11 *) 44 +(* Month: 1793 12 *) 46 +(* Month: 1794 01 *) 45 +(* Month: 1794 02 *) 44 +(* Month: 1794 03 *) 38 +(* Month: 1794 04 *) 28 +(* Month: 1794 05 *) 56 +(* Month: 1794 06 *) 42 +(* Month: 1794 07 *) 41 +(* Month: 1794 08 *) 40 +(* Month: 1794 09 *) 11 +(* Month: 1794 10 *) 29 +(* Month: 1794 11 *) 67 +(* Month: 1794 12 *) 51 +(* Month: 1795 01 *) 21 +(* Month: 1795 02 *) 40 +(* Month: 1795 03 *) 13 +(* Month: 1795 04 *) 19 +(* Month: 1795 05 *) 31 +(* Month: 1795 06 *) 17 +(* Month: 1795 07 *) 13 +(* Month: 1795 08 *) 26 +(* Month: 1795 09 *) 14 +(* Month: 1795 10 *) 20 +(* Month: 1795 11 *) 25 +(* Month: 1795 12 *) 18 +(* Month: 1796 01 *) 22 +(* Month: 1796 02 *) 24 +(* Month: 1796 03 *) 16 +(* Month: 1796 04 *) 32 +(* Month: 1796 05 *) 21 +(* Month: 1796 06 *) 7 +(* Month: 1796 07 *) 27 +(* Month: 1796 08 *) 2 +(* Month: 1796 09 *) 18 +(* Month: 1796 10 *) 11 +(* Month: 1796 11 *) 8 +(* Month: 1796 12 *) 5 +(* Month: 1797 01 *) 14 +(* Month: 1797 02 *) 4 +(* Month: 1797 03 *) 4 +(* Month: 1797 04 *) 4 +(* Month: 1797 05 *) 7 +(* Month: 1797 06 *) 11 +(* Month: 1797 07 *) 4 +(* Month: 1797 08 *) 6 +(* Month: 1797 09 *) 6 +(* Month: 1797 10 *) 7 +(* Month: 1797 11 *) 6 +(* Month: 1797 12 *) 3 +(* Month: 1798 01 *) 2 +(* Month: 1798 02 *) 4 +(* Month: 1798 03 *) 12 +(* Month: 1798 04 *) 1 +(* Month: 1798 05 *) 0 +(* Month: 1798 06 *) 0 +(* Month: 1798 07 *) 0 +(* Month: 1798 08 *) 3 +(* Month: 1798 09 *) 2 +(* Month: 1798 10 *) 2 +(* Month: 1798 11 *) 13 +(* Month: 1798 12 *) 10 +(* Month: 1799 01 *) 2 +(* Month: 1799 02 *) 13 +(* Month: 1799 03 *) 22 +(* Month: 1799 04 *) 8 +(* Month: 1799 05 *) 8 +(* Month: 1799 06 *) 11 +(* Month: 1799 07 *) 2 +(* Month: 1799 08 *) 0 +(* Month: 1799 09 *) 0 +(* Month: 1799 10 *) 5 +(* Month: 1799 11 *) 3 +(* Month: 1799 12 *) 9 +(* Month: 1800 01 *) 7 +(* Month: 1800 02 *) 9 +(* Month: 1800 03 *) 14 +(* Month: 1800 04 *) 0 +(* Month: 1800 05 *) 5 +(* Month: 1800 06 *) 24 +(* Month: 1800 07 *) 21 +(* Month: 1800 08 *) 20 +(* Month: 1800 09 *) 12 +(* Month: 1800 10 *) 12 +(* Month: 1800 11 *) 11 +(* Month: 1800 12 *) 40 +(* Month: 1801 01 *) 27 +(* Month: 1801 02 *) 29 +(* Month: 1801 03 *) 30 +(* Month: 1801 04 *) 31 +(* Month: 1801 05 *) 32 +(* Month: 1801 06 *) 31 +(* Month: 1801 07 *) 35 +(* Month: 1801 08 *) 39 +(* Month: 1801 09 *) 34 +(* Month: 1801 10 *) 33 +(* Month: 1801 11 *) 40 +(* Month: 1801 12 *) 48 +(* Month: 1802 01 *) 48 +(* Month: 1802 02 *) 47 +(* Month: 1802 03 *) 41 +(* Month: 1802 04 *) 42 +(* Month: 1802 05 *) 44 +(* Month: 1802 06 *) 46 +(* Month: 1802 07 *) 48 +(* Month: 1802 08 *) 50 +(* Month: 1802 09 *) 52 +(* Month: 1802 10 *) 39 +(* Month: 1802 11 *) 35 +(* Month: 1802 12 *) 50 +(* Month: 1803 01 *) 50 +(* Month: 1803 02 *) 51 +(* Month: 1803 03 *) 30 +(* Month: 1803 04 *) 25 +(* Month: 1803 05 *) 44 +(* Month: 1803 06 *) 36 +(* Month: 1803 07 *) 48 +(* Month: 1803 08 *) 34 +(* Month: 1803 09 *) 45 +(* Month: 1803 10 *) 54 +(* Month: 1803 11 *) 51 +(* Month: 1803 12 *) 48 +(* Month: 1804 01 *) 45 +(* Month: 1804 02 *) 48 +(* Month: 1804 03 *) 48 +(* Month: 1804 04 *) 51 +(* Month: 1804 05 *) 33 +(* Month: 1804 06 *) 35 +(* Month: 1804 07 *) 30 +(* Month: 1804 08 *) 43 +(* Month: 1804 09 *) 53 +(* Month: 1804 10 *) 62 +(* Month: 1804 11 *) 61 +(* Month: 1804 12 *) 60 +(* Month: 1805 01 *) 61 +(* Month: 1805 02 *) 44 +(* Month: 1805 03 *) 51 +(* Month: 1805 04 *) 38 +(* Month: 1805 05 *) 39 +(* Month: 1805 06 *) 41 +(* Month: 1805 07 *) 38 +(* Month: 1805 08 *) 43 +(* Month: 1805 09 *) 44 +(* Month: 1805 10 *) 29 +(* Month: 1805 11 *) 41 +(* Month: 1805 12 *) 38 +(* Month: 1806 01 *) 39 +(* Month: 1806 02 *) 30 +(* Month: 1806 03 *) 33 +(* Month: 1806 04 *) 28 +(* Month: 1806 05 *) 26 +(* Month: 1806 06 *) 26 +(* Month: 1806 07 *) 30 +(* Month: 1806 08 *) 26 +(* Month: 1806 09 *) 24 +(* Month: 1806 10 *) 27 +(* Month: 1806 11 *) 25 +(* Month: 1806 12 *) 24 +(* Month: 1807 01 *) 12 +(* Month: 1807 02 *) 12 +(* Month: 1807 03 *) 10 +(* Month: 1807 04 *) 24 +(* Month: 1807 05 *) 10 +(* Month: 1807 06 *) 12 +(* Month: 1807 07 *) 13 +(* Month: 1807 08 *) 12 +(* Month: 1807 09 *) 6 +(* Month: 1807 10 *) 8 +(* Month: 1807 11 *) 3 +(* Month: 1807 12 *) 0 +(* Month: 1808 01 *) 0 +(* Month: 1808 02 *) 5 +(* Month: 1808 03 *) 0 +(* Month: 1808 04 *) 12 +(* Month: 1808 05 *) 14 +(* Month: 1808 06 *) 14 +(* Month: 1808 07 *) 7 +(* Month: 1808 08 *) 8 +(* Month: 1808 09 *) 12 +(* Month: 1808 10 *) 5 +(* Month: 1808 11 *) 11 +(* Month: 1808 12 *) 12 +(* Month: 1809 01 *) 7 +(* Month: 1809 02 *) 9 +(* Month: 1809 03 *) 1 +(* Month: 1809 04 *) 3 +(* Month: 1809 05 *) 2 +(* Month: 1809 06 *) 8 +(* Month: 1809 07 *) 0 +(* Month: 1809 08 *) 0 +(* Month: 1809 09 *) 0 +(* Month: 1809 10 *) 0 +(* Month: 1809 11 *) 0 +(* Month: 1809 12 *) 0 +(* Month: 1810 01 *) 0 +(* Month: 1810 02 *) 0 +(* Month: 1810 03 *) 0 +(* Month: 1810 04 *) 0 +(* Month: 1810 05 *) 0 +(* Month: 1810 06 *) 0 +(* Month: 1810 07 *) 0 +(* Month: 1810 08 *) 0 +(* Month: 1810 09 *) 0 +(* Month: 1810 10 *) 0 +(* Month: 1810 11 *) 0 +(* Month: 1810 12 *) 0 +(* Month: 1811 01 *) 0 +(* Month: 1811 02 *) 0 +(* Month: 1811 03 *) 0 +(* Month: 1811 04 *) 0 +(* Month: 1811 05 *) 0 +(* Month: 1811 06 *) 0 +(* Month: 1811 07 *) 7 +(* Month: 1811 08 *) 0 +(* Month: 1811 09 *) 2 +(* Month: 1811 10 *) 6 +(* Month: 1811 11 *) 1 +(* Month: 1811 12 *) 1 +(* Month: 1812 01 *) 11 +(* Month: 1812 02 *) 2 +(* Month: 1812 03 *) 1 +(* Month: 1812 04 *) 0 +(* Month: 1812 05 *) 1 +(* Month: 1812 06 *) 1 +(* Month: 1812 07 *) 1 +(* Month: 1812 08 *) 16 +(* Month: 1812 09 *) 5 +(* Month: 1812 10 *) 4 +(* Month: 1812 11 *) 8 +(* Month: 1812 12 *) 10 +(* Month: 1813 01 *) 0 +(* Month: 1813 02 *) 10 +(* Month: 1813 03 *) 2 +(* Month: 1813 04 *) 17 +(* Month: 1813 05 *) 6 +(* Month: 1813 06 *) 11 +(* Month: 1813 07 *) 18 +(* Month: 1813 08 *) 8 +(* Month: 1813 09 *) 15 +(* Month: 1813 10 *) 28 +(* Month: 1813 11 *) 17 +(* Month: 1813 12 *) 14 +(* Month: 1814 01 *) 22 +(* Month: 1814 02 *) 12 +(* Month: 1814 03 *) 6 +(* Month: 1814 04 *) 24 +(* Month: 1814 05 *) 6 +(* Month: 1814 06 *) 15 +(* Month: 1814 07 *) 19 +(* Month: 1814 08 *) 2 +(* Month: 1814 09 *) 8 +(* Month: 1814 10 *) 19 +(* Month: 1814 11 *) 15 +(* Month: 1814 12 *) 20 +(* Month: 1815 01 *) 19 +(* Month: 1815 02 *) 32 +(* Month: 1815 03 *) 26 +(* Month: 1815 04 *) 32 +(* Month: 1815 05 *) 10 +(* Month: 1815 06 *) 56 +(* Month: 1815 07 *) 36 +(* Month: 1815 08 *) 47 +(* Month: 1815 09 *) 32 +(* Month: 1815 10 *) 34 +(* Month: 1815 11 *) 37 +(* Month: 1815 12 *) 65 +(* Month: 1816 01 *) 26 +(* Month: 1816 02 *) 69 +(* Month: 1816 03 *) 74 +(* Month: 1816 04 *) 59 +(* Month: 1816 05 *) 44 +(* Month: 1816 06 *) 44 +(* Month: 1816 07 *) 39 +(* Month: 1816 08 *) 23 +(* Month: 1816 09 *) 48 +(* Month: 1816 10 *) 56 +(* Month: 1816 11 *) 38 +(* Month: 1816 12 *) 30 +(* Month: 1817 01 *) 36 +(* Month: 1817 02 *) 58 +(* Month: 1817 03 *) 96 +(* Month: 1817 04 *) 26 +(* Month: 1817 05 *) 21 +(* Month: 1817 06 *) 40 +(* Month: 1817 07 *) 50 +(* Month: 1817 08 *) 45 +(* Month: 1817 09 *) 37 +(* Month: 1817 10 *) 26 +(* Month: 1817 11 *) 29 +(* Month: 1817 12 *) 28 +(* Month: 1818 01 *) 35 +(* Month: 1818 02 *) 22 +(* Month: 1818 03 *) 25 +(* Month: 1818 04 *) 35 +(* Month: 1818 05 *) 53 +(* Month: 1818 06 *) 36 +(* Month: 1818 07 *) 28 +(* Month: 1818 08 *) 32 +(* Month: 1818 09 *) 26 +(* Month: 1818 10 *) 32 +(* Month: 1818 11 *) 11 +(* Month: 1818 12 *) 26 +(* Month: 1819 01 *) 33 +(* Month: 1819 02 *) 21 +(* Month: 1819 03 *) 4 +(* Month: 1819 04 *) 20 +(* Month: 1819 05 *) 20 +(* Month: 1819 06 *) 35 +(* Month: 1819 07 *) 31 +(* Month: 1819 08 *) 26 +(* Month: 1819 09 *) 15 +(* Month: 1819 10 *) 28 +(* Month: 1819 11 *) 25 +(* Month: 1819 12 *) 31 +(* Month: 1820 01 *) 19 +(* Month: 1820 02 *) 27 +(* Month: 1820 03 *) 5 +(* Month: 1820 04 *) 19 +(* Month: 1820 05 *) 29 +(* Month: 1820 06 *) 11 +(* Month: 1820 07 *) 21 +(* Month: 1820 08 *) 26 +(* Month: 1820 09 *) 5 +(* Month: 1820 10 *) 9 +(* Month: 1820 11 *) 8 +(* Month: 1820 12 *) 9 +(* Month: 1821 01 *) 22 +(* Month: 1821 02 *) 4 +(* Month: 1821 03 *) 6 +(* Month: 1821 04 *) 9 +(* Month: 1821 05 *) 2 +(* Month: 1821 06 *) 2 +(* Month: 1821 07 *) 3 +(* Month: 1821 08 *) 5 +(* Month: 1821 09 *) 4 +(* Month: 1821 10 *) 19 +(* Month: 1821 11 *) 4 +(* Month: 1821 12 *) 0 +(* Month: 1822 01 *) 0 +(* Month: 1822 02 *) 1 +(* Month: 1822 03 *) 16 +(* Month: 1822 04 *) 14 +(* Month: 1822 05 *) 2 +(* Month: 1822 06 *) 6 +(* Month: 1822 07 *) 8 +(* Month: 1822 08 *) 2 +(* Month: 1822 09 *) 0 +(* Month: 1822 10 *) 0 +(* Month: 1822 11 *) 0 +(* Month: 1822 12 *) 0 +(* Month: 1823 01 *) 0 +(* Month: 1823 02 *) 0 +(* Month: 1823 03 *) 1 +(* Month: 1823 04 *) 0 +(* Month: 1823 05 *) 0 +(* Month: 1823 06 *) 0 +(* Month: 1823 07 *) 1 +(* Month: 1823 08 *) 0 +(* Month: 1823 09 *) 0 +(* Month: 1823 10 *) 0 +(* Month: 1823 11 *) 0 +(* Month: 1823 12 *) 20 +(* Month: 1824 01 *) 22 +(* Month: 1824 02 *) 11 +(* Month: 1824 03 *) 0 +(* Month: 1824 04 *) 19 +(* Month: 1824 05 *) 3 +(* Month: 1824 06 *) 0 +(* Month: 1824 07 *) 0 +(* Month: 1824 08 *) 1 +(* Month: 1824 09 *) 21 +(* Month: 1824 10 *) 25 +(* Month: 1824 11 *) 0 +(* Month: 1824 12 *) 1 +(* Month: 1825 01 *) 5 +(* Month: 1825 02 *) 16 +(* Month: 1825 03 *) 22 +(* Month: 1825 04 *) 4 +(* Month: 1825 05 *) 16 +(* Month: 1825 06 *) 15 +(* Month: 1825 07 *) 31 +(* Month: 1825 08 *) 26 +(* Month: 1825 09 *) 16 +(* Month: 1825 10 *) 16 +(* Month: 1825 11 *) 12 +(* Month: 1825 12 *) 22 +(* Month: 1826 01 *) 18 +(* Month: 1826 02 *) 18 +(* Month: 1826 03 *) 37 +(* Month: 1826 04 *) 24 +(* Month: 1826 05 *) 32 +(* Month: 1826 06 *) 37 +(* Month: 1826 07 *) 53 +(* Month: 1826 08 *) 40 +(* Month: 1826 09 *) 19 +(* Month: 1826 10 *) 51 +(* Month: 1826 11 *) 40 +(* Month: 1826 12 *) 68 +(* Month: 1827 01 *) 35 +(* Month: 1827 02 *) 47 +(* Month: 1827 03 *) 58 +(* Month: 1827 04 *) 46 +(* Month: 1827 05 *) 56 +(* Month: 1827 06 *) 57 +(* Month: 1827 07 *) 42 +(* Month: 1827 08 *) 54 +(* Month: 1827 09 *) 50 +(* Month: 1827 10 *) 56 +(* Month: 1827 11 *) 48 +(* Month: 1827 12 *) 46 +(* Month: 1828 01 *) 53 +(* Month: 1828 02 *) 64 +(* Month: 1828 03 *) 65 +(* Month: 1828 04 *) 61 +(* Month: 1828 05 *) 89 +(* Month: 1828 06 *) 98 +(* Month: 1828 07 *) 54 +(* Month: 1828 08 *) 76 +(* Month: 1828 09 *) 50 +(* Month: 1828 10 *) 55 +(* Month: 1828 11 *) 57 +(* Month: 1828 12 *) 47 +(* Month: 1829 01 *) 43 +(* Month: 1829 02 *) 49 +(* Month: 1829 03 *) 72 +(* Month: 1829 04 *) 95 +(* Month: 1829 05 *) 67 +(* Month: 1829 06 *) 74 +(* Month: 1829 07 *) 91 +(* Month: 1829 08 *) 78 +(* Month: 1829 09 *) 53 +(* Month: 1829 10 *) 57 +(* Month: 1829 11 *) 68 +(* Month: 1829 12 *) 57 +(* Month: 1830 01 *) 52 +(* Month: 1830 02 *) 72 +(* Month: 1830 03 *) 85 +(* Month: 1830 04 *) 106 +(* Month: 1830 05 *) 66 +(* Month: 1830 06 *) 65 +(* Month: 1830 07 *) 44 +(* Month: 1830 08 *) 51 +(* Month: 1830 09 *) 62 +(* Month: 1830 10 *) 84 +(* Month: 1830 11 *) 81 +(* Month: 1830 12 *) 82 +(* Month: 1831 01 *) 48 +(* Month: 1831 02 *) 50 +(* Month: 1831 03 *) 93 +(* Month: 1831 04 *) 55 +(* Month: 1831 05 *) 38 +(* Month: 1831 06 *) 33 +(* Month: 1831 07 *) 45 +(* Month: 1831 08 *) 55 +(* Month: 1831 09 *) 38 +(* Month: 1831 10 *) 46 +(* Month: 1831 11 *) 44 +(* Month: 1831 12 *) 29 +(* Month: 1832 01 *) 31 +(* Month: 1832 02 *) 56 +(* Month: 1832 03 *) 55 +(* Month: 1832 04 *) 27 +(* Month: 1832 05 *) 41 +(* Month: 1832 06 *) 27 +(* Month: 1832 07 *) 14 +(* Month: 1832 08 *) 9 +(* Month: 1832 09 *) 8 +(* Month: 1832 10 *) 21 +(* Month: 1832 11 *) 14 +(* Month: 1832 12 *) 28 +(* Month: 1833 01 *) 11 +(* Month: 1833 02 *) 15 +(* Month: 1833 03 *) 12 +(* Month: 1833 04 *) 3 +(* Month: 1833 05 *) 13 +(* Month: 1833 06 *) 1 +(* Month: 1833 07 *) 7 +(* Month: 1833 08 *) 6 +(* Month: 1833 09 *) 12 +(* Month: 1833 10 *) 8 +(* Month: 1833 11 *) 6 +(* Month: 1833 12 *) 10 +(* Month: 1834 01 *) 5 +(* Month: 1834 02 *) 18 +(* Month: 1834 03 *) 4 +(* Month: 1834 04 *) 1 +(* Month: 1834 05 *) 9 +(* Month: 1834 06 *) 8 +(* Month: 1834 07 *) 9 +(* Month: 1834 08 *) 4 +(* Month: 1834 09 *) 12 +(* Month: 1834 10 *) 25 +(* Month: 1834 11 *) 31 +(* Month: 1834 12 *) 35 +(* Month: 1835 01 *) 8 +(* Month: 1835 02 *) 25 +(* Month: 1835 03 *) 20 +(* Month: 1835 04 *) 62 +(* Month: 1835 05 *) 44 +(* Month: 1835 06 *) 33 +(* Month: 1835 07 *) 60 +(* Month: 1835 08 *) 59 +(* Month: 1835 09 *) 101 +(* Month: 1835 10 *) 95 +(* Month: 1835 11 *) 100 +(* Month: 1835 12 *) 78 +(* Month: 1836 01 *) 89 +(* Month: 1836 02 *) 108 +(* Month: 1836 03 *) 98 +(* Month: 1836 04 *) 143 +(* Month: 1836 05 *) 111 +(* Month: 1836 06 *) 125 +(* Month: 1836 07 *) 117 +(* Month: 1836 08 *) 108 +(* Month: 1836 09 *) 95 +(* Month: 1836 10 *) 137 +(* Month: 1836 11 *) 121 +(* Month: 1836 12 *) 206 +(* Month: 1837 01 *) 188 +(* Month: 1837 02 *) 176 +(* Month: 1837 03 *) 135 +(* Month: 1837 04 *) 138 +(* Month: 1837 05 *) 112 +(* Month: 1837 06 *) 158 +(* Month: 1837 07 *) 163 +(* Month: 1837 08 *) 134 +(* Month: 1837 09 *) 96 +(* Month: 1837 10 *) 124 +(* Month: 1837 11 *) 107 +(* Month: 1837 12 *) 130 +(* Month: 1838 01 *) 145 +(* Month: 1838 02 *) 85 +(* Month: 1838 03 *) 141 +(* Month: 1838 04 *) 127 +(* Month: 1838 05 *) 138 +(* Month: 1838 06 *) 95 +(* Month: 1838 07 *) 108 +(* Month: 1838 08 *) 79 +(* Month: 1838 09 *) 74 +(* Month: 1838 10 *) 91 +(* Month: 1838 11 *) 77 +(* Month: 1838 12 *) 80 +(* Month: 1839 01 *) 106 +(* Month: 1839 02 *) 103 +(* Month: 1839 03 *) 78 +(* Month: 1839 04 *) 62 +(* Month: 1839 05 *) 54 +(* Month: 1839 06 *) 55 +(* Month: 1839 07 *) 85 +(* Month: 1839 08 *) 131 +(* Month: 1839 09 *) 133 +(* Month: 1839 10 *) 91 +(* Month: 1839 11 *) 69 +(* Month: 1839 12 *) 64 +(* Month: 1840 01 *) 81 +(* Month: 1840 02 *) 88 +(* Month: 1840 03 *) 68 +(* Month: 1840 04 *) 66 +(* Month: 1840 05 *) 69 +(* Month: 1840 06 *) 49 +(* Month: 1840 07 *) 61 +(* Month: 1840 08 *) 58 +(* Month: 1840 09 *) 74 +(* Month: 1840 10 *) 55 +(* Month: 1840 11 *) 54 +(* Month: 1840 12 *) 54 +(* Month: 1841 01 *) 24 +(* Month: 1841 02 *) 30 +(* Month: 1841 03 *) 30 +(* Month: 1841 04 *) 40 +(* Month: 1841 05 *) 68 +(* Month: 1841 06 *) 56 +(* Month: 1841 07 *) 31 +(* Month: 1841 08 *) 39 +(* Month: 1841 09 *) 37 +(* Month: 1841 10 *) 29 +(* Month: 1841 11 *) 20 +(* Month: 1841 12 *) 39 +(* Month: 1842 01 *) 20 +(* Month: 1842 02 *) 22 +(* Month: 1842 03 *) 22 +(* Month: 1842 04 *) 27 +(* Month: 1842 05 *) 25 +(* Month: 1842 06 *) 21 +(* Month: 1842 07 *) 13 +(* Month: 1842 08 *) 27 +(* Month: 1842 09 *) 18 +(* Month: 1842 10 *) 38 +(* Month: 1842 11 *) 41 +(* Month: 1842 12 *) 18 +(* Month: 1843 01 *) 13 +(* Month: 1843 02 *) 4 +(* Month: 1843 03 *) 8 +(* Month: 1843 04 *) 10 +(* Month: 1843 05 *) 21 +(* Month: 1843 06 *) 11 +(* Month: 1843 07 *) 10 +(* Month: 1843 08 *) 12 +(* Month: 1843 09 *) 4 +(* Month: 1843 10 *) 5 +(* Month: 1843 11 *) 19 +(* Month: 1843 12 *) 13 +(* Month: 1844 01 *) 9 +(* Month: 1844 02 *) 15 +(* Month: 1844 03 *) 14 +(* Month: 1844 04 *) 21 +(* Month: 1844 05 *) 12 +(* Month: 1844 06 *) 4 +(* Month: 1844 07 *) 21 +(* Month: 1844 08 *) 24 +(* Month: 1844 09 *) 7 +(* Month: 1844 10 *) 22 +(* Month: 1844 11 *) 11 +(* Month: 1844 12 *) 22 +(* Month: 1845 01 *) 26 +(* Month: 1845 02 *) 44 +(* Month: 1845 03 *) 43 +(* Month: 1845 04 *) 57 +(* Month: 1845 05 *) 48 +(* Month: 1845 06 *) 31 +(* Month: 1845 07 *) 31 +(* Month: 1845 08 *) 32 +(* Month: 1845 09 *) 30 +(* Month: 1845 10 *) 41 +(* Month: 1845 11 *) 39 +(* Month: 1845 12 *) 60 +(* Month: 1846 01 *) 39 +(* Month: 1846 02 *) 51 +(* Month: 1846 03 *) 64 +(* Month: 1846 04 *) 69 +(* Month: 1846 05 *) 60 +(* Month: 1846 06 *) 65 +(* Month: 1846 07 *) 47 +(* Month: 1846 08 *) 55 +(* Month: 1846 09 *) 107 +(* Month: 1846 10 *) 56 +(* Month: 1846 11 *) 60 +(* Month: 1846 12 *) 66 +(* Month: 1847 01 *) 63 +(* Month: 1847 02 *) 45 +(* Month: 1847 03 *) 86 +(* Month: 1847 04 *) 45 +(* Month: 1847 05 *) 75 +(* Month: 1847 06 *) 85 +(* Month: 1847 07 *) 52 +(* Month: 1847 08 *) 141 +(* Month: 1847 09 *) 161 +(* Month: 1847 10 *) 180 +(* Month: 1847 11 *) 139 +(* Month: 1847 12 *) 110 +(* Month: 1848 01 *) 159 +(* Month: 1848 02 *) 112 +(* Month: 1848 03 *) 109 +(* Month: 1848 04 *) 107 +(* Month: 1848 05 *) 102 +(* Month: 1848 06 *) 129 +(* Month: 1848 07 *) 139 +(* Month: 1848 08 *) 133 +(* Month: 1848 09 *) 100 +(* Month: 1848 10 *) 132 +(* Month: 1848 11 *) 115 +(* Month: 1848 12 *) 160 +(* Month: 1849 01 *) 157 +(* Month: 1849 02 *) 132 +(* Month: 1849 03 *) 96 +(* Month: 1849 04 *) 103 +(* Month: 1849 05 *) 81 +(* Month: 1849 06 *) 81 +(* Month: 1849 07 *) 78 +(* Month: 1849 08 *) 68 +(* Month: 1849 09 *) 94 +(* Month: 1849 10 *) 72 +(* Month: 1849 11 *) 99 +(* Month: 1849 12 *) 97 +(* Month: 1850 01 *) 78 +(* Month: 1850 02 *) 89 +(* Month: 1850 03 *) 83 +(* Month: 1850 04 *) 44 +(* Month: 1850 05 *) 62 +(* Month: 1850 06 *) 70 +(* Month: 1850 07 *) 39 +(* Month: 1850 08 *) 62 +(* Month: 1850 09 *) 86 +(* Month: 1850 10 *) 71 +(* Month: 1850 11 *) 55 +(* Month: 1850 12 *) 61 +(* Month: 1851 01 *) 76 +(* Month: 1851 02 *) 105 +(* Month: 1851 03 *) 65 +(* Month: 1851 04 *) 57 +(* Month: 1851 05 *) 63 +(* Month: 1851 06 *) 63 +(* Month: 1851 07 *) 36 +(* Month: 1851 08 *) 57 +(* Month: 1851 09 *) 68 +(* Month: 1851 10 *) 63 +(* Month: 1851 11 *) 51 +(* Month: 1851 12 *) 71 +(* Month: 1852 01 *) 68 +(* Month: 1852 02 *) 66 +(* Month: 1852 03 *) 61 +(* Month: 1852 04 *) 65 +(* Month: 1852 05 *) 55 +(* Month: 1852 06 *) 47 +(* Month: 1852 07 *) 42 +(* Month: 1852 08 *) 40 +(* Month: 1852 09 *) 38 +(* Month: 1852 10 *) 67 +(* Month: 1852 11 *) 54 +(* Month: 1852 12 *) 45 +(* Month: 1853 01 *) 41 +(* Month: 1853 02 *) 43 +(* Month: 1853 03 *) 38 +(* Month: 1853 04 *) 48 +(* Month: 1853 05 *) 35 +(* Month: 1853 06 *) 40 +(* Month: 1853 07 *) 46 +(* Month: 1853 08 *) 50 +(* Month: 1853 09 *) 34 +(* Month: 1853 10 *) 42 +(* Month: 1853 11 *) 29 +(* Month: 1853 12 *) 23 +(* Month: 1854 01 *) 15 +(* Month: 1854 02 *) 20 +(* Month: 1854 03 *) 21 +(* Month: 1854 04 *) 27 +(* Month: 1854 05 *) 24 +(* Month: 1854 06 *) 21 +(* Month: 1854 07 *) 19 +(* Month: 1854 08 *) 16 +(* Month: 1854 09 *) 22 +(* Month: 1854 10 *) 13 +(* Month: 1854 11 *) 28 +(* Month: 1854 12 *) 22 +(* Month: 1855 01 *) 12 +(* Month: 1855 02 *) 11 +(* Month: 1855 03 *) 17 +(* Month: 1855 04 *) 4 +(* Month: 1855 05 *) 9 +(* Month: 1855 06 *) 5 +(* Month: 1855 07 *) 0 +(* Month: 1855 08 *) 3 +(* Month: 1855 09 *) 0 +(* Month: 1855 10 *) 10 +(* Month: 1855 11 *) 4 +(* Month: 1855 12 *) 3 +(* Month: 1856 01 *) 1 +(* Month: 1856 02 *) 5 +(* Month: 1856 03 *) 0 +(* Month: 1856 04 *) 7 +(* Month: 1856 05 *) 0 +(* Month: 1856 06 *) 5 +(* Month: 1856 07 *) 5 +(* Month: 1856 08 *) 6 +(* Month: 1856 09 *) 4 +(* Month: 1856 10 *) 5 +(* Month: 1856 11 *) 8 +(* Month: 1856 12 *) 7 +(* Month: 1857 01 *) 14 +(* Month: 1857 02 *) 7 +(* Month: 1857 03 *) 5 +(* Month: 1857 04 *) 11 +(* Month: 1857 05 *) 29 +(* Month: 1857 06 *) 16 +(* Month: 1857 07 *) 22 +(* Month: 1857 08 *) 17 +(* Month: 1857 09 *) 42 +(* Month: 1857 10 *) 41 +(* Month: 1857 11 *) 31 +(* Month: 1857 12 *) 37 +(* Month: 1858 01 *) 39 +(* Month: 1858 02 *) 35 +(* Month: 1858 03 *) 58 +(* Month: 1858 04 *) 38 +(* Month: 1858 05 *) 41 +(* Month: 1858 06 *) 45 +(* Month: 1858 07 *) 57 +(* Month: 1858 08 *) 55 +(* Month: 1858 09 *) 80 +(* Month: 1858 10 *) 91 +(* Month: 1858 11 *) 52 +(* Month: 1858 12 *) 67 +(* Month: 1859 01 *) 84 +(* Month: 1859 02 *) 88 +(* Month: 1859 03 *) 90 +(* Month: 1859 04 *) 86 +(* Month: 1859 05 *) 91 +(* Month: 1859 06 *) 87 +(* Month: 1859 07 *) 95 +(* Month: 1859 08 *) 107 +(* Month: 1859 09 *) 106 +(* Month: 1859 10 *) 115 +(* Month: 1859 11 *) 97 +(* Month: 1859 12 *) 81 +(* Month: 1860 01 *) 82 +(* Month: 1860 02 *) 88 +(* Month: 1860 03 *) 99 +(* Month: 1860 04 *) 71 +(* Month: 1860 05 *) 107 +(* Month: 1860 06 *) 109 +(* Month: 1860 07 *) 117 +(* Month: 1860 08 *) 100 +(* Month: 1860 09 *) 92 +(* Month: 1860 10 *) 90 +(* Month: 1860 11 *) 98 +(* Month: 1860 12 *) 96 +(* Month: 1861 01 *) 62 +(* Month: 1861 02 *) 78 +(* Month: 1861 03 *) 101 +(* Month: 1861 04 *) 99 +(* Month: 1861 05 *) 57 +(* Month: 1861 06 *) 88 +(* Month: 1861 07 *) 78 +(* Month: 1861 08 *) 83 +(* Month: 1861 09 *) 80 +(* Month: 1861 10 *) 67 +(* Month: 1861 11 *) 54 +(* Month: 1861 12 *) 81 +(* Month: 1862 01 *) 63 +(* Month: 1862 02 *) 65 +(* Month: 1862 03 *) 44 +(* Month: 1862 04 *) 54 +(* Month: 1862 05 *) 64 +(* Month: 1862 06 *) 84 +(* Month: 1862 07 *) 73 +(* Month: 1862 08 *) 63 +(* Month: 1862 09 *) 67 +(* Month: 1862 10 *) 42 +(* Month: 1862 11 *) 51 +(* Month: 1862 12 *) 41 +(* Month: 1863 01 *) 48 +(* Month: 1863 02 *) 57 +(* Month: 1863 03 *) 66 +(* Month: 1863 04 *) 41 +(* Month: 1863 05 *) 54 +(* Month: 1863 06 *) 41 +(* Month: 1863 07 *) 33 +(* Month: 1863 08 *) 48 +(* Month: 1863 09 *) 22 +(* Month: 1863 10 *) 40 +(* Month: 1863 11 *) 38 +(* Month: 1863 12 *) 41 +(* Month: 1864 01 *) 58 +(* Month: 1864 02 *) 47 +(* Month: 1864 03 *) 66 +(* Month: 1864 04 *) 36 +(* Month: 1864 05 *) 41 +(* Month: 1864 06 *) 58 +(* Month: 1864 07 *) 55 +(* Month: 1864 08 *) 55 +(* Month: 1864 09 *) 29 + +(* Month: 1864 10 *) 34 +(* Month: 1864 11 *) 58 +(* Month: 1864 12 *) 29 +(* Month: 1865 01 *) 49 +(* Month: 1865 02 *) 39 +(* Month: 1865 03 *) 40 +(* Month: 1865 04 *) 29 +(* Month: 1865 05 *) 35 +(* Month: 1865 06 *) 34 +(* Month: 1865 07 *) 27 +(* Month: 1865 08 *) 38 +(* Month: 1865 09 *) 22 +(* Month: 1865 10 *) 17 +(* Month: 1865 11 *) 25 +(* Month: 1865 12 *) 13 +(* Month: 1866 01 *) 32 +(* Month: 1866 02 *) 38 +(* Month: 1866 03 *) 25 +(* Month: 1866 04 *) 18 +(* Month: 1866 05 *) 13 +(* Month: 1866 06 *) 17 +(* Month: 1866 07 *) 9 +(* Month: 1866 08 *) 13 +(* Month: 1866 09 *) 7 +(* Month: 1866 10 *) 14 +(* Month: 1866 11 *) 9 +(* Month: 1866 12 *) 2 +(* Month: 1867 01 *) 0 +(* Month: 1867 02 *) 1 +(* Month: 1867 03 *) 9 +(* Month: 1867 04 *) 5 +(* Month: 1867 05 *) 3 +(* Month: 1867 06 *) 2 +(* Month: 1867 07 *) 5 +(* Month: 1867 08 *) 5 +(* Month: 1867 09 *) 10 +(* Month: 1867 10 *) 14 +(* Month: 1867 11 *) 10 +(* Month: 1867 12 *) 25 +(* Month: 1868 01 *) 16 +(* Month: 1868 02 *) 16 +(* Month: 1868 03 *) 27 +(* Month: 1868 04 *) 37 +(* Month: 1868 05 *) 27 +(* Month: 1868 06 *) 31 +(* Month: 1868 07 *) 29 +(* Month: 1868 08 *) 34 +(* Month: 1868 09 *) 47 +(* Month: 1868 10 *) 62 +(* Month: 1868 11 *) 59 +(* Month: 1868 12 *) 68 +(* Month: 1869 01 *) 61 +(* Month: 1869 02 *) 60 +(* Month: 1869 03 *) 53 +(* Month: 1869 04 *) 41 +(* Month: 1869 05 *) 104 +(* Month: 1869 06 *) 108 +(* Month: 1869 07 *) 59 +(* Month: 1869 08 *) 80 +(* Month: 1869 09 *) 81 +(* Month: 1869 10 *) 59 +(* Month: 1869 11 *) 78 +(* Month: 1869 12 *) 104 +(* Month: 1870 01 *) 77 +(* Month: 1870 02 *) 115 +(* Month: 1870 03 *) 158 +(* Month: 1870 04 *) 160 +(* Month: 1870 05 *) 176 +(* Month: 1870 06 *) 136 +(* Month: 1870 07 *) 132 +(* Month: 1870 08 *) 154 +(* Month: 1870 09 *) 136 +(* Month: 1870 10 *) 146 +(* Month: 1870 11 *) 148 +(* Month: 1870 12 *) 130 +(* Month: 1871 01 *) 88 +(* Month: 1871 02 *) 125 +(* Month: 1871 03 *) 143 +(* Month: 1871 04 *) 162 +(* Month: 1871 05 *) 146 +(* Month: 1871 06 *) 92 +(* Month: 1871 07 *) 103 +(* Month: 1871 08 *) 110 +(* Month: 1871 09 *) 80 +(* Month: 1871 10 *) 89 +(* Month: 1871 11 *) 105 +(* Month: 1871 12 *) 90 +(* Month: 1872 01 *) 80 +(* Month: 1872 02 *) 120 +(* Month: 1872 03 *) 88 +(* Month: 1872 04 *) 102 +(* Month: 1872 05 *) 108 +(* Month: 1872 06 *) 110 +(* Month: 1872 07 *) 106 +(* Month: 1872 08 *) 93 +(* Month: 1872 09 *) 115 +(* Month: 1872 10 *) 103 +(* Month: 1872 11 *) 112 +(* Month: 1872 12 *) 84 +(* Month: 1873 01 *) 87 +(* Month: 1873 02 *) 107 +(* Month: 1873 03 *) 98 +(* Month: 1873 04 *) 76 +(* Month: 1873 05 *) 48 +(* Month: 1873 06 *) 45 +(* Month: 1873 07 *) 67 +(* Month: 1873 08 *) 68 +(* Month: 1873 09 *) 47 +(* Month: 1873 10 *) 47 +(* Month: 1873 11 *) 55 +(* Month: 1873 12 *) 49 +(* Month: 1874 01 *) 61 +(* Month: 1874 02 *) 64 +(* Month: 1874 03 *) 46 +(* Month: 1874 04 *) 32 +(* Month: 1874 05 *) 45 +(* Month: 1874 06 *) 38 +(* Month: 1874 07 *) 68 +(* Month: 1874 08 *) 61 +(* Month: 1874 09 *) 28 +(* Month: 1874 10 *) 34 +(* Month: 1874 11 *) 29 +(* Month: 1874 12 *) 29 +(* Month: 1875 01 *) 15 +(* Month: 1875 02 *) 22 +(* Month: 1875 03 *) 34 +(* Month: 1875 04 *) 29 +(* Month: 1875 05 *) 12 +(* Month: 1875 06 *) 24 +(* Month: 1875 07 *) 13 +(* Month: 1875 08 *) 15 +(* Month: 1875 09 *) 2 +(* Month: 1875 10 *) 13 +(* Month: 1875 11 *) 18 +(* Month: 1875 12 *) 10 +(* Month: 1876 01 *) 14 +(* Month: 1876 02 *) 15 +(* Month: 1876 03 *) 31 +(* Month: 1876 04 *) 2 +(* Month: 1876 05 *) 5 +(* Month: 1876 06 *) 2 +(* Month: 1876 07 *) 15 +(* Month: 1876 08 *) 9 +(* Month: 1876 09 *) 10 +(* Month: 1876 10 *) 14 +(* Month: 1876 11 *) 10 +(* Month: 1876 12 *) 8 +(* Month: 1877 01 *) 24 +(* Month: 1877 02 *) 9 +(* Month: 1877 03 *) 12 +(* Month: 1877 04 *) 16 +(* Month: 1877 05 *) 22 +(* Month: 1877 06 *) 14 +(* Month: 1877 07 *) 6 +(* Month: 1877 08 *) 6 +(* Month: 1877 09 *) 17 +(* Month: 1877 10 *) 7 +(* Month: 1877 11 *) 14 +(* Month: 1877 12 *) 2 +(* Month: 1878 01 *) 3 +(* Month: 1878 02 *) 7 +(* Month: 1878 03 *) 8 +(* Month: 1878 04 *) 0 +(* Month: 1878 05 *) 6 +(* Month: 1878 06 *) 6 +(* Month: 1878 07 *) 0 +(* Month: 1878 08 *) 0 +(* Month: 1878 09 *) 5 +(* Month: 1878 10 *) 1 +(* Month: 1878 11 *) 4 +(* Month: 1878 12 *) 1 +(* Month: 1879 01 *) 1 +(* Month: 1879 02 *) 1 +(* Month: 1879 03 *) 0 +(* Month: 1879 04 *) 6 +(* Month: 1879 05 *) 2 +(* Month: 1879 06 *) 5 +(* Month: 1879 07 *) 8 +(* Month: 1879 08 *) 11 +(* Month: 1879 09 *) 6 +(* Month: 1879 10 *) 12 +(* Month: 1879 11 *) 13 +(* Month: 1879 12 *) 7 +(* Month: 1880 01 *) 24 +(* Month: 1880 02 *) 27 +(* Month: 1880 03 *) 19 +(* Month: 1880 04 *) 20 +(* Month: 1880 05 *) 24 +(* Month: 1880 06 *) 34 +(* Month: 1880 07 *) 22 +(* Month: 1880 08 *) 48 +(* Month: 1880 09 *) 66 +(* Month: 1880 10 *) 43 +(* Month: 1880 11 *) 31 +(* Month: 1880 12 *) 30 +(* Month: 1881 01 *) 36 +(* Month: 1881 02 *) 53 +(* Month: 1881 03 *) 52 +(* Month: 1881 04 *) 52 +(* Month: 1881 05 *) 44 +(* Month: 1881 06 *) 61 +(* Month: 1881 07 *) 77 +(* Month: 1881 08 *) 58 +(* Month: 1881 09 *) 53 +(* Month: 1881 10 *) 64 +(* Month: 1881 11 *) 55 +(* Month: 1881 12 *) 47 +(* Month: 1882 01 *) 45 +(* Month: 1882 02 *) 70 +(* Month: 1882 03 *) 67 +(* Month: 1882 04 *) 96 +(* Month: 1882 05 *) 64 +(* Month: 1882 06 *) 45 +(* Month: 1882 07 *) 45 +(* Month: 1882 08 *) 40 +(* Month: 1882 09 *) 58 +(* Month: 1882 10 *) 59 +(* Month: 1882 11 *) 84 +(* Month: 1882 12 *) 42 +(* Month: 1883 01 *) 61 +(* Month: 1883 02 *) 47 +(* Month: 1883 03 *) 43 +(* Month: 1883 04 *) 82 +(* Month: 1883 05 *) 32 +(* Month: 1883 06 *) 76 +(* Month: 1883 07 *) 81 +(* Month: 1883 08 *) 46 +(* Month: 1883 09 *) 53 +(* Month: 1883 10 *) 84 +(* Month: 1883 11 *) 85 +(* Month: 1883 12 *) 76 +(* Month: 1884 01 *) 92 +(* Month: 1884 02 *) 87 +(* Month: 1884 03 *) 88 +(* Month: 1884 04 *) 76 +(* Month: 1884 05 *) 67 +(* Month: 1884 06 *) 51 +(* Month: 1884 07 *) 53 +(* Month: 1884 08 *) 56 +(* Month: 1884 09 *) 62 +(* Month: 1884 10 *) 48 +(* Month: 1884 11 *) 37 +(* Month: 1884 12 *) 47 +(* Month: 1885 01 *) 43 +(* Month: 1885 02 *) 72 +(* Month: 1885 03 *) 50 +(* Month: 1885 04 *) 55 +(* Month: 1885 05 *) 73 +(* Month: 1885 06 *) 84 +(* Month: 1885 07 *) 67 +(* Month: 1885 08 *) 50 +(* Month: 1885 09 *) 40 +(* Month: 1885 10 *) 39 +(* Month: 1885 11 *) 31 +(* Month: 1885 12 *) 22 +(* Month: 1886 01 *) 30 +(* Month: 1886 02 *) 26 +(* Month: 1886 03 *) 57 +(* Month: 1886 04 *) 44 +(* Month: 1886 05 *) 31 +(* Month: 1886 06 *) 27 +(* Month: 1886 07 *) 30 +(* Month: 1886 08 *) 17 +(* Month: 1886 09 *) 21 +(* Month: 1886 10 *) 9 +(* Month: 1886 11 *) 0 +(* Month: 1886 12 *) 13 +(* Month: 1887 01 *) 10 +(* Month: 1887 02 *) 13 +(* Month: 1887 03 *) 4 +(* Month: 1887 04 *) 7 +(* Month: 1887 05 *) 20 +(* Month: 1887 06 *) 16 +(* Month: 1887 07 *) 23 +(* Month: 1887 08 *) 21 +(* Month: 1887 09 *) 7 +(* Month: 1887 10 *) 7 +(* Month: 1887 11 *) 7 +(* Month: 1887 12 *) 21 +(* Month: 1888 01 *) 13 +(* Month: 1888 02 *) 7 +(* Month: 1888 03 *) 8 +(* Month: 1888 04 *) 5 +(* Month: 1888 05 *) 7 +(* Month: 1888 06 *) 7 +(* Month: 1888 07 *) 3 +(* Month: 1888 08 *) 3 +(* Month: 1888 09 *) 9 +(* Month: 1888 10 *) 2 +(* Month: 1888 11 *) 11 +(* Month: 1888 12 *) 7 +(* Month: 1889 01 *) 1 +(* Month: 1889 02 *) 9 +(* Month: 1889 03 *) 7 +(* Month: 1889 04 *) 4 +(* Month: 1889 05 *) 2 +(* Month: 1889 06 *) 6 +(* Month: 1889 07 *) 9 +(* Month: 1889 08 *) 21 +(* Month: 1889 09 *) 7 +(* Month: 1889 10 *) 2 +(* Month: 1889 11 *) 0 +(* Month: 1889 12 *) 7 +(* Month: 1890 01 *) 5 +(* Month: 1890 02 *) 1 +(* Month: 1890 03 *) 5 +(* Month: 1890 04 *) 2 +(* Month: 1890 05 *) 5 +(* Month: 1890 06 *) 1 +(* Month: 1890 07 *) 12 +(* Month: 1890 08 *) 9 +(* Month: 1890 09 *) 17 +(* Month: 1890 10 *) 11 +(* Month: 1890 11 *) 10 +(* Month: 1890 12 *) 8 +(* Month: 1891 01 *) 14 +(* Month: 1891 02 *) 22 +(* Month: 1891 03 *) 10 +(* Month: 1891 04 *) 21 +(* Month: 1891 05 *) 41 +(* Month: 1891 06 *) 48 +(* Month: 1891 07 *) 59 +(* Month: 1891 08 *) 33 +(* Month: 1891 09 *) 54 +(* Month: 1891 10 *) 52 +(* Month: 1891 11 *) 42 +(* Month: 1891 12 *) 33 +(* Month: 1892 01 *) 69 +(* Month: 1892 02 *) 76 +(* Month: 1892 03 *) 50 +(* Month: 1892 04 *) 70 +(* Month: 1892 05 *) 80 +(* Month: 1892 06 *) 76 +(* Month: 1892 07 *) 77 +(* Month: 1892 08 *) 101 +(* Month: 1892 09 *) 63 +(* Month: 1892 10 *) 71 +(* Month: 1892 11 *) 65 +(* Month: 1892 12 *) 79 +(* Month: 1893 01 *) 75 +(* Month: 1893 02 *) 73 +(* Month: 1893 03 *) 66 +(* Month: 1893 04 *) 88 +(* Month: 1893 05 *) 85 +(* Month: 1893 06 *) 90 +(* Month: 1893 07 *) 89 +(* Month: 1893 08 *) 129 +(* Month: 1893 09 *) 78 +(* Month: 1893 10 *) 80 +(* Month: 1893 11 *) 75 +(* Month: 1893 12 *) 94 +(* Month: 1894 01 *) 83 +(* Month: 1894 02 *) 85 +(* Month: 1894 03 *) 52 +(* Month: 1894 04 *) 82 +(* Month: 1894 05 *) 101 +(* Month: 1894 06 *) 99 +(* Month: 1894 07 *) 106 +(* Month: 1894 08 *) 70 +(* Month: 1894 09 *) 66 +(* Month: 1894 10 *) 76 +(* Month: 1894 11 *) 57 +(* Month: 1894 12 *) 60 +(* Month: 1895 01 *) 63 +(* Month: 1895 02 *) 67 +(* Month: 1895 03 *) 61 +(* Month: 1895 04 *) 77 +(* Month: 1895 05 *) 68 +(* Month: 1895 06 *) 72 +(* Month: 1895 07 *) 48 +(* Month: 1895 08 *) 69 +(* Month: 1895 09 *) 58 +(* Month: 1895 10 *) 68 +(* Month: 1895 11 *) 47 +(* Month: 1895 12 *) 71 +(* Month: 1896 01 *) 29 +(* Month: 1896 02 *) 57 +(* Month: 1896 03 *) 52 +(* Month: 1896 04 *) 44 +(* Month: 1896 05 *) 28 +(* Month: 1896 06 *) 49 +(* Month: 1896 07 *) 45 +(* Month: 1896 08 *) 27 +(* Month: 1896 09 *) 61 +(* Month: 1896 10 *) 29 +(* Month: 1896 11 *) 38 +(* Month: 1896 12 *) 43 +(* Month: 1897 01 *) 41 +(* Month: 1897 02 *) 29 +(* Month: 1897 03 *) 29 +(* Month: 1897 04 *) 31 +(* Month: 1897 05 *) 20 +(* Month: 1897 06 *) 11 +(* Month: 1897 07 *) 28 +(* Month: 1897 08 *) 22 +(* Month: 1897 09 *) 48 +(* Month: 1897 10 *) 14 +(* Month: 1897 11 *) 8 +(* Month: 1897 12 *) 33 +(* Month: 1898 01 *) 30 +(* Month: 1898 02 *) 36 +(* Month: 1898 03 *) 38 +(* Month: 1898 04 *) 15 +(* Month: 1898 05 *) 26 +(* Month: 1898 06 *) 22 +(* Month: 1898 07 *) 9 +(* Month: 1898 08 *) 31 +(* Month: 1898 09 *) 35 +(* Month: 1898 10 *) 34 +(* Month: 1898 11 *) 31 +(* Month: 1898 12 *) 13 +(* Month: 1899 01 *) 20 +(* Month: 1899 02 *) 9 +(* Month: 1899 03 *) 18 +(* Month: 1899 04 *) 14 +(* Month: 1899 05 *) 8 +(* Month: 1899 06 *) 21 +(* Month: 1899 07 *) 14 +(* Month: 1899 08 *) 3 +(* Month: 1899 09 *) 8 +(* Month: 1899 10 *) 13 +(* Month: 1899 11 *) 8 +(* Month: 1899 12 *) 11 +(* Month: 1900 01 *) 9 +(* Month: 1900 02 *) 14 +(* Month: 1900 03 *) 9 +(* Month: 1900 04 *) 16 +(* Month: 1900 05 *) 15 +(* Month: 1900 06 *) 12 +(* Month: 1900 07 *) 8 +(* Month: 1900 08 *) 4 +(* Month: 1900 09 *) 8 +(* Month: 1900 10 *) 13 +(* Month: 1900 11 *) 5 +(* Month: 1900 12 *) 0 +(* Month: 1901 01 *) 0 +(* Month: 1901 02 *) 2 +(* Month: 1901 03 *) 5 +(* Month: 1901 04 *) 0 +(* Month: 1901 05 *) 10 +(* Month: 1901 06 *) 6 +(* Month: 1901 07 *) 1 +(* Month: 1901 08 *) 1 +(* Month: 1901 09 *) 1 +(* Month: 1901 10 *) 4 +(* Month: 1901 11 *) 4 +(* Month: 1901 12 *) 0 +(* Month: 1902 01 *) 6 +(* Month: 1902 02 *) 0 +(* Month: 1902 03 *) 12 +(* Month: 1902 04 *) 0 +(* Month: 1902 05 *) 3 +(* Month: 1902 06 *) 1 +(* Month: 1902 07 *) 1 +(* Month: 1902 08 *) 2 +(* Month: 1902 09 *) 8 +(* Month: 1902 10 *) 16 +(* Month: 1902 11 *) 10 +(* Month: 1902 12 *) 1 +(* Month: 1903 01 *) 8 +(* Month: 1903 02 *) 17 +(* Month: 1903 03 *) 14 +(* Month: 1903 04 *) 26 +(* Month: 1903 05 *) 15 +(* Month: 1903 06 *) 16 +(* Month: 1903 07 *) 28 +(* Month: 1903 08 *) 29 +(* Month: 1903 09 *) 11 +(* Month: 1903 10 *) 39 +(* Month: 1903 11 *) 45 +(* Month: 1903 12 *) 46 +(* Month: 1904 01 *) 32 +(* Month: 1904 02 *) 25 +(* Month: 1904 03 *) 37 +(* Month: 1904 04 *) 43 +(* Month: 1904 05 *) 40 +(* Month: 1904 06 *) 42 +(* Month: 1904 07 *) 51 +(* Month: 1904 08 *) 58 +(* Month: 1904 09 *) 30 +(* Month: 1904 10 *) 54 +(* Month: 1904 11 *) 38 +(* Month: 1904 12 *) 55 +(* Month: 1905 01 *) 55 +(* Month: 1905 02 *) 86 +(* Month: 1905 03 *) 57 +(* Month: 1905 04 *) 39 +(* Month: 1905 05 *) 48 +(* Month: 1905 06 *) 49 +(* Month: 1905 07 *) 73 +(* Month: 1905 08 *) 59 +(* Month: 1905 09 *) 55 +(* Month: 1905 10 *) 79 +(* Month: 1905 11 *) 107 +(* Month: 1905 12 *) 56 +(* Month: 1906 01 *) 46 +(* Month: 1906 02 *) 31 +(* Month: 1906 03 *) 65 +(* Month: 1906 04 *) 55 +(* Month: 1906 05 *) 58 +(* Month: 1906 06 *) 63 +(* Month: 1906 07 *) 104 +(* Month: 1906 08 *) 48 +(* Month: 1906 09 *) 56 +(* Month: 1906 10 *) 18 +(* Month: 1906 11 *) 39 +(* Month: 1906 12 *) 65 +(* Month: 1907 01 *) 76 +(* Month: 1907 02 *) 108 +(* Month: 1907 03 *) 61 +(* Month: 1907 04 *) 53 +(* Month: 1907 05 *) 43 +(* Month: 1907 06 *) 40 +(* Month: 1907 07 *) 50 +(* Month: 1907 08 *) 54 +(* Month: 1907 09 *) 85 +(* Month: 1907 10 *) 65 +(* Month: 1907 11 *) 62 +(* Month: 1907 12 *) 47 +(* Month: 1908 01 *) 39 +(* Month: 1908 02 *) 34 +(* Month: 1908 03 *) 29 +(* Month: 1908 04 *) 58 +(* Month: 1908 05 *) 41 +(* Month: 1908 06 *) 48 +(* Month: 1908 07 *) 40 +(* Month: 1908 08 *) 91 +(* Month: 1908 09 *) 87 +(* Month: 1908 10 *) 32 +(* Month: 1908 11 *) 46 +(* Month: 1908 12 *) 40 +(* Month: 1909 01 *) 57 +(* Month: 1909 02 *) 47 +(* Month: 1909 03 *) 66 +(* Month: 1909 04 *) 32 +(* Month: 1909 05 *) 36 +(* Month: 1909 06 *) 23 +(* Month: 1909 07 *) 36 +(* Month: 1909 08 *) 23 +(* Month: 1909 09 *) 39 +(* Month: 1909 10 *) 58 +(* Month: 1909 11 *) 56 +(* Month: 1909 12 *) 54 +(* Month: 1910 01 *) 26 +(* Month: 1910 02 *) 32 +(* Month: 1910 03 *) 21 +(* Month: 1910 04 *) 8 +(* Month: 1910 05 *) 22 +(* Month: 1910 06 *) 12 +(* Month: 1910 07 *) 14 +(* Month: 1910 08 *) 12 +(* Month: 1910 09 *) 26 +(* Month: 1910 10 *) 38 +(* Month: 1910 11 *) 5 +(* Month: 1910 12 *) 6 +(* Month: 1911 01 *) 3 +(* Month: 1911 02 *) 9 +(* Month: 1911 03 *) 8 +(* Month: 1911 04 *) 17 +(* Month: 1911 05 *) 9 +(* Month: 1911 06 *) 2 +(* Month: 1911 07 *) 4 +(* Month: 1911 08 *) 4 +(* Month: 1911 09 *) 4 +(* Month: 1911 10 *) 3 +(* Month: 1911 11 *) 4 +(* Month: 1911 12 *) 2 +(* Month: 1912 01 *) 0 +(* Month: 1912 02 *) 0 +(* Month: 1912 03 *) 5 +(* Month: 1912 04 *) 5 +(* Month: 1912 05 *) 4 +(* Month: 1912 06 *) 4 +(* Month: 1912 07 *) 3 +(* Month: 1912 08 *) 0 +(* Month: 1912 09 *) 10 +(* Month: 1912 10 *) 5 +(* Month: 1912 11 *) 1 +(* Month: 1912 12 *) 6 +(* Month: 1913 01 *) 2 +(* Month: 1913 02 *) 3 +(* Month: 1913 03 *) 1 +(* Month: 1913 04 *) 1 +(* Month: 1913 05 *) 0 +(* Month: 1913 06 *) 0 +(* Month: 1913 07 *) 2 +(* Month: 1913 08 *) 0 +(* Month: 1913 09 *) 1 +(* Month: 1913 10 *) 3 +(* Month: 1913 11 *) 1 +(* Month: 1913 12 *) 4 +(* Month: 1914 01 *) 3 +(* Month: 1914 02 *) 3 +(* Month: 1914 03 *) 3 +(* Month: 1914 04 *) 17 +(* Month: 1914 05 *) 5 +(* Month: 1914 06 *) 11 +(* Month: 1914 07 *) 5 +(* Month: 1914 08 *) 8 +(* Month: 1914 09 *) 13 +(* Month: 1914 10 *) 8 +(* Month: 1914 11 *) 16 +(* Month: 1914 12 *) 22 +(* Month: 1915 01 *) 23 +(* Month: 1915 02 *) 42 +(* Month: 1915 03 *) 39 +(* Month: 1915 04 *) 41 +(* Month: 1915 05 *) 33 +(* Month: 1915 06 *) 69 +(* Month: 1915 07 *) 72 +(* Month: 1915 08 *) 70 +(* Month: 1915 09 *) 50 +(* Month: 1915 10 *) 54 +(* Month: 1915 11 *) 43 +(* Month: 1915 12 *) 35 +(* Month: 1916 01 *) 45 +(* Month: 1916 02 *) 55 +(* Month: 1916 03 *) 67 +(* Month: 1916 04 *) 72 +(* Month: 1916 05 *) 75 +(* Month: 1916 06 *) 68 +(* Month: 1916 07 *) 54 +(* Month: 1916 08 *) 35 +(* Month: 1916 09 *) 45 +(* Month: 1916 10 *) 51 +(* Month: 1916 11 *) 66 +(* Month: 1916 12 *) 53 +(* Month: 1917 01 *) 75 +(* Month: 1917 02 *) 72 +(* Month: 1917 03 *) 95 +(* Month: 1917 04 *) 75 +(* Month: 1917 05 *) 114 +(* Month: 1917 06 *) 115 +(* Month: 1917 07 *) 120 +(* Month: 1917 08 *) 155 +(* Month: 1917 09 *) 129 +(* Month: 1917 10 *) 72 +(* Month: 1917 11 *) 96 +(* Month: 1917 12 *) 129 +(* Month: 1918 01 *) 96 +(* Month: 1918 02 *) 65 +(* Month: 1918 03 *) 72 +(* Month: 1918 04 *) 81 +(* Month: 1918 05 *) 77 +(* Month: 1918 06 *) 59 +(* Month: 1918 07 *) 108 +(* Month: 1918 08 *) 102 +(* Month: 1918 09 *) 80 +(* Month: 1918 10 *) 85 +(* Month: 1918 11 *) 83 +(* Month: 1918 12 *) 59 +(* Month: 1919 01 *) 48 +(* Month: 1919 02 *) 80 +(* Month: 1919 03 *) 67 +(* Month: 1919 04 *) 52 +(* Month: 1919 05 *) 88 +(* Month: 1919 06 *) 111 +(* Month: 1919 07 *) 65 +(* Month: 1919 08 *) 69 +(* Month: 1919 09 *) 55 +(* Month: 1919 10 *) 53 +(* Month: 1919 11 *) 42 +(* Month: 1919 12 *) 35 +(* Month: 1920 01 *) 51 +(* Month: 1920 02 *) 54 +(* Month: 1920 03 *) 70 +(* Month: 1920 04 *) 15 +(* Month: 1920 05 *) 33 +(* Month: 1920 06 *) 39 +(* Month: 1920 07 *) 28 +(* Month: 1920 08 *) 19 +(* Month: 1920 09 *) 36 +(* Month: 1920 10 *) 50 +(* Month: 1920 11 *) 27 +(* Month: 1920 12 *) 30 +(* Month: 1921 01 *) 32 +(* Month: 1921 02 *) 28 +(* Month: 1921 03 *) 27 +(* Month: 1921 04 *) 32 +(* Month: 1921 05 *) 22 +(* Month: 1921 06 *) 34 +(* Month: 1921 07 *) 42 +(* Month: 1921 08 *) 23 +(* Month: 1921 09 *) 18 +(* Month: 1921 10 *) 18 +(* Month: 1921 11 *) 18 +(* Month: 1921 12 *) 20 +(* Month: 1922 01 *) 12 +(* Month: 1922 02 *) 26 +(* Month: 1922 03 *) 55 +(* Month: 1922 04 *) 11 +(* Month: 1922 05 *) 8 +(* Month: 1922 06 *) 6 +(* Month: 1922 07 *) 11 +(* Month: 1922 08 *) 7 +(* Month: 1922 09 *) 5 +(* Month: 1922 10 *) 6 +(* Month: 1922 11 *) 7 +(* Month: 1922 12 *) 18 +(* Month: 1923 01 *) 5 +(* Month: 1923 02 *) 2 +(* Month: 1923 03 *) 3 +(* Month: 1923 04 *) 6 +(* Month: 1923 05 *) 3 +(* Month: 1923 06 *) 9 +(* Month: 1923 07 *) 4 +(* Month: 1923 08 *) 1 +(* Month: 1923 09 *) 13 +(* Month: 1923 10 *) 12 +(* Month: 1923 11 *) 10 +(* Month: 1923 12 *) 3 +(* Month: 1924 01 *) 1 +(* Month: 1924 02 *) 5 +(* Month: 1924 03 *) 2 +(* Month: 1924 04 *) 11 +(* Month: 1924 05 *) 21 +(* Month: 1924 06 *) 24 +(* Month: 1924 07 *) 28 +(* Month: 1924 08 *) 19 +(* Month: 1924 09 *) 25 +(* Month: 1924 10 *) 26 +(* Month: 1924 11 *) 23 +(* Month: 1924 12 *) 17 +(* Month: 1925 01 *) 6 +(* Month: 1925 02 *) 23 +(* Month: 1925 03 *) 18 +(* Month: 1925 04 *) 32 +(* Month: 1925 05 *) 43 +(* Month: 1925 06 *) 48 +(* Month: 1925 07 *) 39 +(* Month: 1925 08 *) 38 +(* Month: 1925 09 *) 60 +(* Month: 1925 10 *) 69 +(* Month: 1925 11 *) 59 +(* Month: 1925 12 *) 99 +(* Month: 1926 01 *) 72 +(* Month: 1926 02 *) 70 +(* Month: 1926 03 *) 63 +(* Month: 1926 04 *) 39 +(* Month: 1926 05 *) 64 +(* Month: 1926 06 *) 74 +(* Month: 1926 07 *) 52 +(* Month: 1926 08 *) 62 +(* Month: 1926 09 *) 61 +(* Month: 1926 10 *) 72 +(* Month: 1926 11 *) 61 +(* Month: 1926 12 *) 79 +(* Month: 1927 01 *) 82 +(* Month: 1927 02 *) 93 +(* Month: 1927 03 *) 70 +(* Month: 1927 04 *) 94 +(* Month: 1927 05 *) 79 +(* Month: 1927 06 *) 59 +(* Month: 1927 07 *) 55 +(* Month: 1927 08 *) 54 +(* Month: 1927 09 *) 68 +(* Month: 1927 10 *) 63 +(* Month: 1927 11 *) 67 +(* Month: 1927 12 *) 45 +(* Month: 1928 01 *) 84 +(* Month: 1928 02 *) 74 +(* Month: 1928 03 *) 85 +(* Month: 1928 04 *) 81 +(* Month: 1928 05 *) 77 +(* Month: 1928 06 *) 91 +(* Month: 1928 07 *) 98 +(* Month: 1928 08 *) 84 +(* Month: 1928 09 *) 90 +(* Month: 1928 10 *) 61 +(* Month: 1928 11 *) 50 +(* Month: 1928 12 *) 59 +(* Month: 1929 01 *) 69 +(* Month: 1929 02 *) 63 +(* Month: 1929 03 *) 50 +(* Month: 1929 04 *) 53 +(* Month: 1929 05 *) 58 +(* Month: 1929 06 *) 72 +(* Month: 1929 07 *) 70 +(* Month: 1929 08 *) 66 +(* Month: 1929 09 *) 34 +(* Month: 1929 10 *) 54 +(* Month: 1929 11 *) 81 +(* Month: 1929 12 *) 108 +(* Month: 1930 01 *) 65 +(* Month: 1930 02 *) 50 +(* Month: 1930 03 *) 35 +(* Month: 1930 04 *) 38 +(* Month: 1930 05 *) 37 +(* Month: 1930 06 *) 29 +(* Month: 1930 07 *) 22 +(* Month: 1930 08 *) 25 +(* Month: 1930 09 *) 32 +(* Month: 1930 10 *) 34 +(* Month: 1930 11 *) 36 +(* Month: 1930 12 *) 26 +(* Month: 1931 01 *) 15 +(* Month: 1931 02 *) 43 +(* Month: 1931 03 *) 30 +(* Month: 1931 04 *) 31 +(* Month: 1931 05 *) 25 +(* Month: 1931 06 *) 15 +(* Month: 1931 07 *) 17 +(* Month: 1931 08 *) 13 +(* Month: 1931 09 *) 19 +(* Month: 1931 10 *) 10 +(* Month: 1931 11 *) 19 +(* Month: 1931 12 *) 18 +(* Month: 1932 01 *) 12 +(* Month: 1932 02 *) 11 +(* Month: 1932 03 *) 11 +(* Month: 1932 04 *) 11 +(* Month: 1932 05 *) 18 +(* Month: 1932 06 *) 22 +(* Month: 1932 07 *) 10 +(* Month: 1932 08 *) 7 +(* Month: 1932 09 *) 4 +(* Month: 1932 10 *) 9 +(* Month: 1932 11 *) 8 +(* Month: 1932 12 *) 11 +(* Month: 1933 01 *) 12 +(* Month: 1933 02 *) 22 +(* Month: 1933 03 *) 10 +(* Month: 1933 04 *) 3 +(* Month: 1933 05 *) 3 +(* Month: 1933 06 *) 5 +(* Month: 1933 07 *) 3 +(* Month: 1933 08 *) 0 +(* Month: 1933 09 *) 5 +(* Month: 1933 10 *) 3 +(* Month: 1933 11 *) 1 +(* Month: 1933 12 *) 0 +(* Month: 1934 01 *) 3 +(* Month: 1934 02 *) 8 +(* Month: 1934 03 *) 4 +(* Month: 1934 04 *) 11 +(* Month: 1934 05 *) 20 +(* Month: 1934 06 *) 7 +(* Month: 1934 07 *) 9 +(* Month: 1934 08 *) 8 +(* Month: 1934 09 *) 4 +(* Month: 1934 10 *) 6 +(* Month: 1934 11 *) 9 +(* Month: 1934 12 *) 15 +(* Month: 1935 01 *) 19 +(* Month: 1935 02 *) 21 +(* Month: 1935 03 *) 23 +(* Month: 1935 04 *) 12 +(* Month: 1935 05 *) 27 +(* Month: 1935 06 *) 46 +(* Month: 1935 07 *) 34 +(* Month: 1935 08 *) 30 +(* Month: 1935 09 *) 42 +(* Month: 1935 10 *) 53 +(* Month: 1935 11 *) 64 +(* Month: 1935 12 *) 62 +(* Month: 1936 01 *) 63 +(* Month: 1936 02 *) 74 +(* Month: 1936 03 *) 77 +(* Month: 1936 04 *) 75 +(* Month: 1936 05 *) 55 +(* Month: 1936 06 *) 70 +(* Month: 1936 07 *) 52 +(* Month: 1936 08 *) 87 +(* Month: 1936 09 *) 76 +(* Month: 1936 10 *) 89 +(* Month: 1936 11 *) 115 +(* Month: 1936 12 *) 123 +(* Month: 1937 01 *) 133 +(* Month: 1937 02 *) 129 +(* Month: 1937 03 *) 84 +(* Month: 1937 04 *) 109 +(* Month: 1937 05 *) 117 +(* Month: 1937 06 *) 130 +(* Month: 1937 07 *) 145 +(* Month: 1937 08 *) 138 +(* Month: 1937 09 *) 101 +(* Month: 1937 10 *) 125 +(* Month: 1937 11 *) 74 +(* Month: 1937 12 *) 89 +(* Month: 1938 01 *) 98 +(* Month: 1938 02 *) 119 +(* Month: 1938 03 *) 87 +(* Month: 1938 04 *) 101 +(* Month: 1938 05 *) 127 +(* Month: 1938 06 *) 98 +(* Month: 1938 07 *) 165 +(* Month: 1938 08 *) 116 +(* Month: 1938 09 *) 90 +(* Month: 1938 10 *) 99 +(* Month: 1938 11 *) 122 +(* Month: 1938 12 *) 93 +(* Month: 1939 01 *) 80 +(* Month: 1939 02 *) 77 +(* Month: 1939 03 *) 65 +(* Month: 1939 04 *) 109 +(* Month: 1939 05 *) 118 +(* Month: 1939 06 *) 101 +(* Month: 1939 07 *) 98 +(* Month: 1939 08 *) 106 +(* Month: 1939 09 *) 113 +(* Month: 1939 10 *) 88 +(* Month: 1939 11 *) 68 +(* Month: 1939 12 *) 42 +(* Month: 1940 01 *) 51 +(* Month: 1940 02 *) 59 +(* Month: 1940 03 *) 83 +(* Month: 1940 04 *) 61 +(* Month: 1940 05 *) 54 +(* Month: 1940 06 *) 84 +(* Month: 1940 07 *) 68 +(* Month: 1940 08 *) 106 +(* Month: 1940 09 *) 67 +(* Month: 1940 10 *) 55 +(* Month: 1940 11 *) 58 +(* Month: 1940 12 *) 68 +(* Month: 1941 01 *) 46 +(* Month: 1941 02 *) 45 +(* Month: 1941 03 *) 46 +(* Month: 1941 04 *) 33 +(* Month: 1941 05 *) 30 +(* Month: 1941 06 *) 60 +(* Month: 1941 07 *) 67 +(* Month: 1941 08 *) 60 +(* Month: 1941 09 *) 66 +(* Month: 1941 10 *) 46 +(* Month: 1941 11 *) 38 +(* Month: 1941 12 *) 34 +(* Month: 1942 01 *) 36 +(* Month: 1942 02 *) 53 +(* Month: 1942 03 *) 54 +(* Month: 1942 04 *) 61 +(* Month: 1942 05 *) 25 +(* Month: 1942 06 *) 11 +(* Month: 1942 07 *) 18 +(* Month: 1942 08 *) 20 +(* Month: 1942 09 *) 17 +(* Month: 1942 10 *) 19 +(* Month: 1942 11 *) 31 +(* Month: 1942 12 *) 23 +(* Month: 1943 01 *) 12 +(* Month: 1943 02 *) 29 +(* Month: 1943 03 *) 27 +(* Month: 1943 04 *) 26 +(* Month: 1943 05 *) 14 +(* Month: 1943 06 *) 8 +(* Month: 1943 07 *) 13 +(* Month: 1943 08 *) 19 +(* Month: 1943 09 *) 10 +(* Month: 1943 10 *) 8 +(* Month: 1943 11 *) 10 +(* Month: 1943 12 *) 19 +(* Month: 1944 01 *) 4 +(* Month: 1944 02 *) 1 +(* Month: 1944 03 *) 11 +(* Month: 1944 04 *) 0 +(* Month: 1944 05 *) 3 +(* Month: 1944 06 *) 5 +(* Month: 1944 07 *) 5 +(* Month: 1944 08 *) 17 +(* Month: 1944 09 *) 14 +(* Month: 1944 10 *) 17 +(* Month: 1944 11 *) 11 +(* Month: 1944 12 *) 28 +(* Month: 1945 01 *) 19 +(* Month: 1945 02 *) 13 +(* Month: 1945 03 *) 22 +(* Month: 1945 04 *) 32 +(* Month: 1945 05 *) 31 +(* Month: 1945 06 *) 36 +(* Month: 1945 07 *) 43 +(* Month: 1945 08 *) 26 +(* Month: 1945 09 *) 35 +(* Month: 1945 10 *) 69 +(* Month: 1945 11 *) 46 +(* Month: 1945 12 *) 27 +(* Month: 1946 01 *) 48 +(* Month: 1946 02 *) 86 +(* Month: 1946 03 *) 77 +(* Month: 1946 04 *) 76 +(* Month: 1946 05 *) 85 +(* Month: 1946 06 *) 74 +(* Month: 1946 07 *) 116 +(* Month: 1946 08 *) 107 +(* Month: 1946 09 *) 94 +(* Month: 1946 10 *) 102 +(* Month: 1946 11 *) 124 +(* Month: 1946 12 *) 122 +(* Month: 1947 01 *) 116 +(* Month: 1947 02 *) 133 +(* Month: 1947 03 *) 130 +(* Month: 1947 04 *) 150 +(* Month: 1947 05 *) 201 +(* Month: 1947 06 *) 164 +(* Month: 1947 07 *) 158 +(* Month: 1947 08 *) 189 +(* Month: 1947 09 *) 169 +(* Month: 1947 10 *) 164 +(* Month: 1947 11 *) 128 +(* Month: 1947 12 *) 117 +(* Month: 1948 01 *) 109 +(* Month: 1948 02 *) 86 +(* Month: 1948 03 *) 95 +(* Month: 1948 04 *) 190 +(* Month: 1948 05 *) 174 +(* Month: 1948 06 *) 168 +(* Month: 1948 07 *) 142 +(* Month: 1948 08 *) 158 +(* Month: 1948 09 *) 143 +(* Month: 1948 10 *) 136 +(* Month: 1948 11 *) 96 +(* Month: 1948 12 *) 138 +(* Month: 1949 01 *) 119 +(* Month: 1949 02 *) 182 +(* Month: 1949 03 *) 158 +(* Month: 1949 04 *) 147 +(* Month: 1949 05 *) 106 +(* Month: 1949 06 *) 122 +(* Month: 1949 07 *) 126 +(* Month: 1949 08 *) 124 +(* Month: 1949 09 *) 145 +(* Month: 1949 10 *) 132 +(* Month: 1949 11 *) 144 +(* Month: 1949 12 *) 118 +(* Month: 1950 01 *) 102 +(* Month: 1950 02 *) 95 +(* Month: 1950 03 *) 110 +(* Month: 1950 04 *) 113 +(* Month: 1950 05 *) 106 +(* Month: 1950 06 *) 84 +(* Month: 1950 07 *) 91 +(* Month: 1950 08 *) 85 +(* Month: 1950 09 *) 51 +(* Month: 1950 10 *) 61 +(* Month: 1950 11 *) 55 +(* Month: 1950 12 *) 54 +(* Month: 1951 01 *) 60 +(* Month: 1951 02 *) 60 +(* Month: 1951 03 *) 56 +(* Month: 1951 04 *) 93 +(* Month: 1951 05 *) 109 +(* Month: 1951 06 *) 101 +(* Month: 1951 07 *) 62 +(* Month: 1951 08 *) 61 +(* Month: 1951 09 *) 83 +(* Month: 1951 10 *) 52 +(* Month: 1951 11 *) 52 +(* Month: 1951 12 *) 46 +(* Month: 1952 01 *) 41 +(* Month: 1952 02 *) 23 +(* Month: 1952 03 *) 22 +(* Month: 1952 04 *) 29 +(* Month: 1952 05 *) 23 +(* Month: 1952 06 *) 36 +(* Month: 1952 07 *) 39 +(* Month: 1952 08 *) 55 +(* Month: 1952 09 *) 28 +(* Month: 1952 10 *) 24 +(* Month: 1952 11 *) 22 +(* Month: 1952 12 *) 34 +(* Month: 1953 01 *) 27 +(* Month: 1953 02 *) 4 +(* Month: 1953 03 *) 10 +(* Month: 1953 04 *) 28 +(* Month: 1953 05 *) 13 +(* Month: 1953 06 *) 22 +(* Month: 1953 07 *) 9 +(* Month: 1953 08 *) 24 +(* Month: 1953 09 *) 19 +(* Month: 1953 10 *) 8 +(* Month: 1953 11 *) 2 +(* Month: 1953 12 *) 3 +(* Month: 1954 01 *) 0 +(* Month: 1954 02 *) 1 +(* Month: 1954 03 *) 11 +(* Month: 1954 04 *) 2 +(* Month: 1954 05 *) 1 +(* Month: 1954 06 *) 0 +(* Month: 1954 07 *) 5 +(* Month: 1954 08 *) 8 +(* Month: 1954 09 *) 2 +(* Month: 1954 10 *) 7 +(* Month: 1954 11 *) 9 +(* Month: 1954 12 *) 8 +(* Month: 1955 01 *) 23 +(* Month: 1955 02 *) 21 +(* Month: 1955 03 *) 5 +(* Month: 1955 04 *) 11 +(* Month: 1955 05 *) 29 +(* Month: 1955 06 *) 32 +(* Month: 1955 07 *) 27 +(* Month: 1955 08 *) 41 +(* Month: 1955 09 *) 43 +(* Month: 1955 10 *) 59 +(* Month: 1955 11 *) 89 +(* Month: 1955 12 *) 77 +(* Month: 1956 01 *) 74 +(* Month: 1956 02 *) 124 +(* Month: 1956 03 *) 118 +(* Month: 1956 04 *) 111 +(* Month: 1956 05 *) 137 +(* Month: 1956 06 *) 117 +(* Month: 1956 07 *) 129 +(* Month: 1956 08 *) 170 +(* Month: 1956 09 *) 173 +(* Month: 1956 10 *) 155 +(* Month: 1956 11 *) 201 +(* Month: 1956 12 *) 192 +(* Month: 1957 01 *) 165 +(* Month: 1957 02 *) 130 +(* Month: 1957 03 *) 157 +(* Month: 1957 04 *) 175 +(* Month: 1957 05 *) 165 +(* Month: 1957 06 *) 201 +(* Month: 1957 07 *) 187 +(* Month: 1957 08 *) 158 +(* Month: 1957 09 *) 236 +(* Month: 1957 10 *) 254 +(* Month: 1957 11 *) 211 +(* Month: 1957 12 *) 239 +(* Month: 1958 01 *) 203 +(* Month: 1958 02 *) 165 +(* Month: 1958 03 *) 191 +(* Month: 1958 04 *) 196 +(* Month: 1958 05 *) 175 +(* Month: 1958 06 *) 172 +(* Month: 1958 07 *) 191 +(* Month: 1958 08 *) 200 +(* Month: 1958 09 *) 201 +(* Month: 1958 10 *) 182 +(* Month: 1958 11 *) 152 +(* Month: 1958 12 *) 188 +(* Month: 1959 01 *) 217 +(* Month: 1959 02 *) 143 +(* Month: 1959 03 *) 186 +(* Month: 1959 04 *) 163 +(* Month: 1959 05 *) 172 +(* Month: 1959 06 *) 169 +(* Month: 1959 07 *) 150 +(* Month: 1959 08 *) 200 +(* Month: 1959 09 *) 145 +(* Month: 1959 10 *) 111 +(* Month: 1959 11 *) 124 +(* Month: 1959 12 *) 125 +(* Month: 1960 01 *) 146 +(* Month: 1960 02 *) 106 +(* Month: 1960 03 *) 102 +(* Month: 1960 04 *) 122 +(* Month: 1960 05 *) 120 +(* Month: 1960 06 *) 110 +(* Month: 1960 07 *) 122 +(* Month: 1960 08 *) 134 +(* Month: 1960 09 *) 127 +(* Month: 1960 10 *) 83 +(* Month: 1960 11 *) 90 +(* Month: 1960 12 *) 86 +(* Month: 1961 01 *) 58 +(* Month: 1961 02 *) 46 +(* Month: 1961 03 *) 53 +(* Month: 1961 04 *) 61 +(* Month: 1961 05 *) 51 +(* Month: 1961 06 *) 77 +(* Month: 1961 07 *) 70 +(* Month: 1961 08 *) 56 +(* Month: 1961 09 *) 64 +(* Month: 1961 10 *) 38 +(* Month: 1961 11 *) 33 +(* Month: 1961 12 *) 40 +(* Month: 1962 01 *) 39 +(* Month: 1962 02 *) 50 +(* Month: 1962 03 *) 46 +(* Month: 1962 04 *) 46 +(* Month: 1962 05 *) 44 +(* Month: 1962 06 *) 42 +(* Month: 1962 07 *) 22 +(* Month: 1962 08 *) 22 +(* Month: 1962 09 *) 51 +(* Month: 1962 10 *) 40 +(* Month: 1962 11 *) 27 +(* Month: 1962 12 *) 23 +(* Month: 1963 01 *) 20 +(* Month: 1963 02 *) 24 +(* Month: 1963 03 *) 17 +(* Month: 1963 04 *) 29 +(* Month: 1963 05 *) 43 +(* Month: 1963 06 *) 36 +(* Month: 1963 07 *) 20 +(* Month: 1963 08 *) 33 +(* Month: 1963 09 *) 39 +(* Month: 1963 10 *) 35 +(* Month: 1963 11 *) 23 +(* Month: 1963 12 *) 15 +(* Month: 1964 01 *) 15 +(* Month: 1964 02 *) 18 +(* Month: 1964 03 *) 17 +(* Month: 1964 04 *) 9 +(* Month: 1964 05 *) 10 +(* Month: 1964 06 *) 9 +(* Month: 1964 07 *) 3 +(* Month: 1964 08 *) 9 +(* Month: 1964 09 *) 5 +(* Month: 1964 10 *) 6 +(* Month: 1964 11 *) 7 +(* Month: 1964 12 *) 15 +(* Month: 1965 01 *) 18 +(* Month: 1965 02 *) 14 +(* Month: 1965 03 *) 12 +(* Month: 1965 04 *) 7 +(* Month: 1965 05 *) 24 +(* Month: 1965 06 *) 16 +(* Month: 1965 07 *) 12 +(* Month: 1965 08 *) 9 +(* Month: 1965 09 *) 17 +(* Month: 1965 10 *) 20 +(* Month: 1965 11 *) 16 +(* Month: 1965 12 *) 17 +(* Month: 1966 01 *) 28 +(* Month: 1966 02 *) 24 +(* Month: 1966 03 *) 25 +(* Month: 1966 04 *) 49 +(* Month: 1966 05 *) 45 +(* Month: 1966 06 *) 48 +(* Month: 1966 07 *) 57 +(* Month: 1966 08 *) 51 +(* Month: 1966 09 *) 50 +(* Month: 1966 10 *) 57 +(* Month: 1966 11 *) 57 +(* Month: 1966 12 *) 70 +(* Month: 1967 01 *) 111 +(* Month: 1967 02 *) 94 +(* Month: 1967 03 *) 112 +(* Month: 1967 04 *) 70 +(* Month: 1967 05 *) 87 +(* Month: 1967 06 *) 67 +(* Month: 1967 07 *) 92 +(* Month: 1967 08 *) 107 +(* Month: 1967 09 *) 77 +(* Month: 1967 10 *) 88 +(* Month: 1967 11 *) 94 +(* Month: 1967 12 *) 126 +(* Month: 1968 01 *) 122 +(* Month: 1968 02 *) 112 +(* Month: 1968 03 *) 92 +(* Month: 1968 04 *) 81 +(* Month: 1968 05 *) 127 +(* Month: 1968 06 *) 110 +(* Month: 1968 07 *) 96 +(* Month: 1968 08 *) 109 +(* Month: 1968 09 *) 117 +(* Month: 1968 10 *) 108 +(* Month: 1968 11 *) 86 +(* Month: 1968 12 *) 110 +(* Month: 1969 01 *) 104 +(* Month: 1969 02 *) 121 +(* Month: 1969 03 *) 136 +(* Month: 1969 04 *) 107 +(* Month: 1969 05 *) 120 +(* Month: 1969 06 *) 106 +(* Month: 1969 07 *) 97 +(* Month: 1969 08 *) 98 +(* Month: 1969 09 *) 91 +(* Month: 1969 10 *) 96 +(* Month: 1969 11 *) 94 +(* Month: 1969 12 *) 98 +(* Month: 1970 01 *) 112 +(* Month: 1970 02 *) 128 +(* Month: 1970 03 *) 103 +(* Month: 1970 04 *) 110 +(* Month: 1970 05 *) 128 +(* Month: 1970 06 *) 107 +(* Month: 1970 07 *) 113 +(* Month: 1970 08 *) 93 +(* Month: 1970 09 *) 100 +(* Month: 1970 10 *) 87 +(* Month: 1970 11 *) 95 +(* Month: 1970 12 *) 84 +(* Month: 1971 01 *) 91 +(* Month: 1971 02 *) 79 +(* Month: 1971 03 *) 61 +(* Month: 1971 04 *) 72 +(* Month: 1971 05 *) 58 +(* Month: 1971 06 *) 50 +(* Month: 1971 07 *) 81 +(* Month: 1971 08 *) 61 +(* Month: 1971 09 *) 50 +(* Month: 1971 10 *) 52 +(* Month: 1971 11 *) 63 +(* Month: 1971 12 *) 82 +(* Month: 1972 01 *) 62 +(* Month: 1972 02 *) 88 +(* Month: 1972 03 *) 80 +(* Month: 1972 04 *) 63 +(* Month: 1972 05 *) 81 +(* Month: 1972 06 *) 88 +(* Month: 1972 07 *) 77 +(* Month: 1972 08 *) 77 +(* Month: 1972 09 *) 64 +(* Month: 1972 10 *) 61 +(* Month: 1972 11 *) 42 +(* Month: 1972 12 *) 45 +(* Month: 1973 01 *) 43 +(* Month: 1973 02 *) 43 +(* Month: 1973 03 *) 46 +(* Month: 1973 04 *) 58 +(* Month: 1973 05 *) 42 +(* Month: 1973 06 *) 38 +(* Month: 1973 07 *) 23 +(* Month: 1973 08 *) 26 +(* Month: 1973 09 *) 59 +(* Month: 1973 10 *) 31 +(* Month: 1973 11 *) 24 +(* Month: 1973 12 *) 23 +(* Month: 1974 01 *) 28 +(* Month: 1974 02 *) 26 +(* Month: 1974 03 *) 21 +(* Month: 1974 04 *) 40 +(* Month: 1974 05 *) 40 +(* Month: 1974 06 *) 36 +(* Month: 1974 07 *) 56 +(* Month: 1974 08 *) 34 +(* Month: 1974 09 *) 40 +(* Month: 1974 10 *) 47 +(* Month: 1974 11 *) 25 +(* Month: 1974 12 *) 21 +(* Month: 1975 01 *) 19 +(* Month: 1975 02 *) 12 +(* Month: 1975 03 *) 12 +(* Month: 1975 04 *) 5 +(* Month: 1975 05 *) 9 +(* Month: 1975 06 *) 11 +(* Month: 1975 07 *) 28 +(* Month: 1975 08 *) 40 +(* Month: 1975 09 *) 14 +(* Month: 1975 10 *) 9 +(* Month: 1975 11 *) 19 +(* Month: 1975 12 *) 8 +(* Month: 1976 01 *) 8 +(* Month: 1976 02 *) 4 +(* Month: 1976 03 *) 22 +(* Month: 1976 04 *) 19 +(* Month: 1976 05 *) 12 +(* Month: 1976 06 *) 12 +(* Month: 1976 07 *) 2 +(* Month: 1976 08 *) 16 +(* Month: 1976 09 *) 14 +(* Month: 1976 10 *) 21 + +(* Month: 1976 11 *) 5 +(* Month: 1976 12 *) 15 +(* Month: 1977 01 *) 16 +(* Month: 1977 02 *) 23 +(* Month: 1977 03 *) 9 +(* Month: 1977 04 *) 13 +(* Month: 1977 05 *) 19 +(* Month: 1977 06 *) 39 +(* Month: 1977 07 *) 21 +(* Month: 1977 08 *) 30 +(* Month: 1977 09 *) 44 +(* Month: 1977 10 *) 44 +(* Month: 1977 11 *) 29 +(* Month: 1977 12 *) 43 +(* Month: 1978 01 *) 52 +(* Month: 1978 02 *) 94 +(* Month: 1978 03 *) 77 +(* Month: 1978 04 *) 100 +(* Month: 1978 05 *) 83 +(* Month: 1978 06 *) 95 +(* Month: 1978 07 *) 70 +(* Month: 1978 08 *) 58 +(* Month: 1978 09 *) 138 +(* Month: 1978 10 *) 125 +(* Month: 1978 11 *) 98 +(* Month: 1978 12 *) 123 +(* Month: 1979 01 *) 167 +(* Month: 1979 02 *) 138 +(* Month: 1979 03 *) 138 +(* Month: 1979 04 *) 102 +(* Month: 1979 05 *) 134 +(* Month: 1979 06 *) 150 +(* Month: 1979 07 *) 159 +(* Month: 1979 08 *) 142 +(* Month: 1979 09 *) 188 +(* Month: 1979 10 *) 186 +(* Month: 1979 11 *) 183 +(* Month: 1979 12 *) 176 +(* Month: 1980 01 *) 160 +(* Month: 1980 02 *) 155 +(* Month: 1980 03 *) 126 +(* Month: 1980 04 *) 164 +(* Month: 1980 05 *) 180 +(* Month: 1980 06 *) 157 +(* Month: 1980 07 *) 136 +(* Month: 1980 08 *) 135 +(* Month: 1980 09 *) 155 +(* Month: 1980 10 *) 165 +(* Month: 1980 11 *) 148 +(* Month: 1980 12 *) 174 +(* Month: 1981 01 *) 114 +(* Month: 1981 02 *) 141 +(* Month: 1981 03 *) 136 +(* Month: 1981 04 *) 156 +(* Month: 1981 05 *) 128 +(* Month: 1981 06 *) 91 +(* Month: 1981 07 *) 144 +(* Month: 1981 08 *) 159 +(* Month: 1981 09 *) 167 +(* Month: 1981 10 *) 162 +(* Month: 1981 11 *) 138 +(* Month: 1981 12 *) 150 +(* Month: 1982 01 *) 111 +(* Month: 1982 02 *) 164 +(* Month: 1982 03 *) 154 +(* Month: 1982 04 *) 122 +(* Month: 1982 05 *) 82 +(* Month: 1982 06 *) 110 +(* Month: 1982 07 *) 106 +(* Month: 1982 08 *) 108 +(* Month: 1982 09 *) 119 +(* Month: 1982 10 *) 95 +(* Month: 1982 11 *) 98 +(* Month: 1982 12 *) 127 +(* Month: 1983 01 *) 84 +(* Month: 1983 02 *) 51 +(* Month: 1983 03 *) 67 +(* Month: 1983 04 *) 81 +(* Month: 1983 05 *) 99 +(* Month: 1983 06 *) 91 +(* Month: 1983 07 *) 82 +(* Month: 1983 08 *) 72 +(* Month: 1983 09 *) 50 +(* Month: 1983 10 *) 56 +(* Month: 1983 11 *) 33 +(* Month: 1983 12 *) 33 +(* Month: 1984 01 *) 57 +(* Month: 1984 02 *) 85 +(* Month: 1984 03 *) 84 +(* Month: 1984 04 *) 70 +(* Month: 1984 05 *) 76 +(* Month: 1984 06 *) 46 +(* Month: 1984 07 *) 37 +(* Month: 1984 08 *) 26 +(* Month: 1984 09 *) 16 +(* Month: 1984 10 *) 12 +(* Month: 1984 11 *) 23 +(* Month: 1984 12 *) 19 +(* Month: 1985 01 *) 17 +(* Month: 1985 02 *) 16 +(* Month: 1985 03 *) 17 +(* Month: 1985 04 *) 16 +(* Month: 1985 05 *) 28 +(* Month: 1985 06 *) 24 +(* Month: 1985 07 *) 31 +(* Month: 1985 08 *) 11 +(* Month: 1985 09 *) 4 +(* Month: 1985 10 *) 19 +(* Month: 1985 11 *) 16 +(* Month: 1985 12 *) 17 +(* Month: 1986 01 *) 3 +(* Month: 1986 02 *) 23 +(* Month: 1986 03 *) 15 +(* Month: 1986 04 *) 19 +(* Month: 1986 05 *) 14 +(* Month: 1986 06 *) 1 +(* Month: 1986 07 *) 18 +(* Month: 1986 08 *) 7 +(* Month: 1986 09 *) 4 +(* Month: 1986 10 *) 35 +(* Month: 1986 11 *) 15 +(* Month: 1986 12 *) 7 +(* Month: 1987 01 *) 10 +(* Month: 1987 02 *) 2 +(* Month: 1987 03 *) 15 +(* Month: 1987 04 *) 40 +(* Month: 1987 05 *) 33 +(* Month: 1987 06 *) 17 +(* Month: 1987 07 *) 33 +(* Month: 1987 08 *) 39 +(* Month: 1987 09 *) 34 +(* Month: 1987 10 *) 61 +(* Month: 1987 11 *) 40 +(* Month: 1987 12 *) 27 +(* Month: 1988 01 *) 59 +(* Month: 1988 02 *) 40 +(* Month: 1988 03 *) 76 +(* Month: 1988 04 *) 88 +(* Month: 1988 05 *) 60 +(* Month: 1988 06 *) 102 +(* Month: 1988 07 *) 114 +(* Month: 1988 08 *) 112 +(* Month: 1988 09 *) 120 +(* Month: 1988 10 *) 125 +(* Month: 1988 11 *) 125 +(* Month: 1988 12 *) 179 +(* Month: 1989 01 *) 161 +(* Month: 1989 02 *) 165 +(* Month: 1989 03 *) 131 +(* Month: 1989 04 *) 131 +(* Month: 1989 05 *) 139 +(* Month: 1989 06 *) 196 +(* Month: 1989 07 *) 127 +(* Month: 1989 08 *) 169 +(* Month: 1989 09 *) 177 +(* Month: 1989 10 *) 159 +(* Month: 1989 11 *) 173 +(* Month: 1989 12 *) 166 +(* Month: 1990 01 *) 177 +(* Month: 1990 02 *) 131 +(* Month: 1990 03 *) 140 +(* Month: 1990 04 *) 140 +(* Month: 1990 05 *) 132 +(* Month: 1990 06 *) 105 +(* Month: 1990 07 *) 149 +(* Month: 1990 08 *) 200 +(* Month: 1990 09 *) 125 +(* Month: 1990 10 *) 146 +(* Month: 1990 11 *) 131 +(* Month: 1990 12 *) 130 +(* Month: 1991 01 *) 137 +(* Month: 1991 02 *) 168 +(* Month: 1991 03 *) 142 +(* Month: 1991 04 *) 140 +(* Month: 1991 05 *) 121 +(* Month: 1991 06 *) 170 +(* Month: 1991 07 *) 174 +(* Month: 1991 08 *) 176 +(* Month: 1991 09 *) 125 +(* Month: 1991 10 *) 144 +(* Month: 1991 11 *) 108 +(* Month: 1991 12 *) 144 +(* Month: 1992 01 *) 150 +(* Month: 1992 02 *) 161 +(* Month: 1992 03 *) 107 +(* Month: 1992 04 *) 100 +(* Month: 1992 05 *) 74 +(* Month: 1992 06 *) 65 +(* Month: 1992 07 *) 86 +(* Month: 1992 08 *) 65 +(* Month: 1992 09 *) 64 +(* Month: 1992 10 *) 89 +(* Month: 1992 11 *) 92 +(* Month: 1992 12 *) 83 +(* Month: 1993 01 *) 59 +(* Month: 1993 02 *) 91 +(* Month: 1993 03 *) 70 +(* Month: 1993 04 *) 62 +(* Month: 1993 05 *) 61 +(* Month: 1993 06 *) 50 +(* Month: 1993 07 *) 58 +(* Month: 1993 08 *) 42 +(* Month: 1993 09 *) 22 +(* Month: 1993 10 *) 56 +(* Month: 1993 11 *) 36 +(* Month: 1993 12 *) 49 +(* Month: 1994 01 *) 58 +(* Month: 1994 02 *) 36 +(* Month: 1994 03 *) 32 +(* Month: 1994 04 *) 16 +(* Month: 1994 05 *) 18 +(* Month: 1994 06 *) 28 +(* Month: 1994 07 *) 35 +(* Month: 1994 08 *) 23 +(* Month: 1994 09 *) 26 +(* Month: 1994 10 *) 44 +(* Month: 1994 11 *) 18 +(* Month: 1994 12 *) 26 +(* Month: 1995 01 *) 24 +(* Month: 1995 02 *) 30 +(* Month: 1995 03 *) 31 +(* Month: 1995 04 *) 14 +(* Month: 1995 05 *) 15 +(* Month: 1995 06 *) 16 +(* Month: 1995 07 *) 15 +(* Month: 1995 08 *) 14 +(* Month: 1995 09 *) 12 +(* Month: 1995 10 *) 21 +(* Month: 1995 11 *) 9 +(* Month: 1995 12 *) 10 +(* Month: 1996 01 *) 12 +(* Month: 1996 02 *) 4 +(* Month: 1996 03 *) 9 +(* Month: 1996 04 *) 5 +(* Month: 1996 05 *) 6 +(* Month: 1996 06 *) 12 +(* Month: 1996 07 *) 8 +(* Month: 1996 08 *) 14 +(* Month: 1996 09 *) 2 +(* Month: 1996 10 *) 1 +(* Month: 1996 11 *) 18 +(* Month: 1996 12 *) 13 +(* Month: 1997 01 *) 6 +(* Month: 1997 02 *) 8 +(* Month: 1997 03 *) 9 +(* Month: 1997 04 *) 16 +(* Month: 1997 05 *) 19 +(* Month: 1997 06 *) 13 +(* Month: 1997 07 *) 10 +(* Month: 1997 08 *) 24 +(* Month: 1997 09 *) 51 +(* Month: 1997 10 *) 24 +(* Month: 1997 11 *) 39 +(* Month: 1997 12 *) 41 +(* Month: 1998 01 *) 32 +(* Month: 1998 02 *) 40 +(* Month: 1998 03 *) 55 +(* Month: 1998 04 *) 53 +(* Month: 1998 05 *) 56 +(* Month: 1998 06 *) 71 +(* Month: 1998 07 *) 67 +(* Month: 1998 08 *) 92 +(* Month: 1998 09 *) 93 +(* Month: 1998 10 *) 56 +(* Month: 1998 11 *) 74 +(* Month: 1998 12 *) 82 +(* Month: 1999 01 *) 62 +(* Month: 1999 02 *) 66 +(* Month: 1999 03 *) 69 +(* Month: 1999 04 *) 64 +(* Month: 1999 05 *) 106 +(* Month: 1999 06 *) 138 +(* Month: 1999 07 *) 114 +(* Month: 1999 08 *) 94 +(* Month: 1999 09 *) 72 +(* Month: 1999 10 *) 117 +(* Month: 1999 11 *) 133 +(* Month: 1999 12 *) 85 +(* Month: 2000 01 *) 90 +(* Month: 2000 02 *) 113 +(* Month: 2000 03 *) 139 +(* Month: 2000 04 *) 126 +(* Month: 2000 05 *) 122 +(* Month: 2000 06 *) 125 +(* Month: 2000 07 *) 170 +(* Month: 2000 08 *) 131 +(* Month: 2000 09 *) 110 +(* Month: 2000 10 *) 99 +(* Month: 2000 11 *) 107 +(* Month: 2000 12 *) 104 +(* Month: 2001 01 *) 96 +(* Month: 2001 02 *) 81 +(* Month: 2001 03 *) 114 +(* Month: 2001 04 *) 108 +(* Month: 2001 05 *) 97 +(* Month: 2001 06 *) 134 +(* Month: 2001 07 *) 82 +(* Month: 2001 08 *) 106 +(* Month: 2001 09 *) 151 +(* Month: 2001 10 *) 126 +(* Month: 2001 11 *) 107 +(* Month: 2001 12 *) 132 +(* Month: 2002 01 *) 114 +(* Month: 2002 02 *) 107 +(* Month: 2002 03 *) 98 +(* Month: 2002 04 *) 121 +(* Month: 2002 05 *) 121 +(* Month: 2002 06 *) 88 +(* Month: 2002 07 *) 100 +(* Month: 2002 08 *) 116 +(* Month: 2002 09 *) 110 +(* Month: 2002 10 *) 98 +(* Month: 2002 11 *) 96 +(* Month: 2002 12 *) 81 +(* Month: 2003 01 *) 80 +(* Month: 2003 02 *) 46 +(* Month: 2003 03 *) 61 +(* Month: 2003 04 *) 60 +(* Month: 2003 05 *) 55 +(* Month: 2003 06 *) 77 +(* Month: 2003 07 *) 83 +(* Month: 2003 08 *) 73 +(* Month: 2003 09 *) 49 +(* Month: 2003 10 *) 66 +(* Month: 2003 11 *) 67 +(* Month: 2003 12 *) 47 +(* Month: 2004 01 *) 37 +(* Month: 2004 02 *) 46 +(* Month: 2004 03 *) 49 +(* Month: 2004 04 *) 39 +(* Month: 2004 05 *) 42 +(* Month: 2004 06 *) 43 +(* Month: 2004 07 *) 51 +(* Month: 2004 08 *) 41 +(* Month: 2004 09 *) 28 +(* Month: 2004 10 *) 48 +(* Month: 2004 11 *) 44 +(* Month: 2004 12 *) 18 +(* Month: 2005 01 *) 31 +(* Month: 2005 02 *) 29 diff --git a/novice/shell/filesystem/users/vlad/notes.txt b/novice/shell/filesystem/users/vlad/notes.txt new file mode 100644 index 0000000..030ef37 --- /dev/null +++ b/novice/shell/filesystem/users/vlad/notes.txt @@ -0,0 +1,3 @@ +- finish experiments +- write thesis +- get post-doc position (pref. with Dr. Horrible) diff --git a/novice/shell/filesystem/users/vlad/pizza.cfg b/novice/shell/filesystem/users/vlad/pizza.cfg new file mode 100644 index 0000000..a75394a --- /dev/null +++ b/novice/shell/filesystem/users/vlad/pizza.cfg @@ 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"{0}" does not exist'.format(output_directory) +assert len(filenames) > 0, \ + 'No filenames provided' + +for f in filenames: + with open(os.path.join(output_directory, f), 'w') as writer: + for i in range(length): + print >> writer, random.expovariate(1.0/mean) diff --git a/novice/shell/gen-sequence.py b/novice/shell/gen-sequence.py new file mode 100644 index 0000000..d3c5d6f --- /dev/null +++ b/novice/shell/gen-sequence.py @@ -0,0 +1,12 @@ +#!/usr/bin/env python + +'''Generate random seuqence data for files in `creatures` directory.''' + +import sys +import random + +assert len(sys.argv) == 3, 'Usage: gen-sequence lines seed' +num_lines = int(sys.argv[1]) +random.seed(sys.argv[2]) +for i in range(num_lines): + print ''.join(random.choice('ACGT') for j in range(10)) diff --git a/novice/shell/img/filesystem-challenge.odg b/novice/shell/img/filesystem-challenge.odg new file mode 100644 index 0000000000000000000000000000000000000000..c3bf2526efc6bda4b0504400120eb2dac33019f7 GIT binary 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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/novice/shell/index.md b/novice/shell/index.md new file mode 100644 index 0000000..1479c19 --- /dev/null +++ b/novice/shell/index.md @@ -0,0 +1,24 @@ +--- +layout: lesson +root: ../.. +title: The Unix Shell +--- +The Unix shell has been around longer than most of its users have been alive. +It has survived so long because it's a power tool +that allows people to do complex things with just a few keystrokes. +More importantly, +it helps them combine existing programs in new ways +and automate repetitive tasks +so that they don't have to type the same things over and over again. + +

+ +1. [Introducing the Shell](00-intro.html) +2. [Files and Directories](01-filedir.html) +3. [Creating Things](02-create.html) +4. [Pipes and Filters](03-pipefilter.html) +5. [Loops](04-loop.html) +6. [Shell Scripts](05-script.html) +7. [Finding Things](06-find.html) + +
diff --git a/novice/shell/molecules/cubane.pdb b/novice/shell/molecules/cubane.pdb new file mode 100644 index 0000000..f4c4370 --- /dev/null +++ b/novice/shell/molecules/cubane.pdb @@ -0,0 +1,20 @@ +COMPND CUBANE +AUTHOR DAVE WOODCOCK 95 12 06 +ATOM 1 C 1 0.789 -0.852 0.504 1.00 0.00 +ATOM 2 C 1 -0.161 -1.104 -0.624 1.00 0.00 +ATOM 3 C 1 -1.262 -0.440 0.160 1.00 0.00 +ATOM 4 C 1 -0.289 -0.202 1.284 1.00 0.00 +ATOM 5 C 1 1.203 0.513 -0.094 1.00 0.00 +ATOM 6 C 1 0.099 1.184 0.694 1.00 0.00 +ATOM 7 C 1 -0.885 0.959 -0.460 1.00 0.00 +ATOM 8 C 1 0.236 0.283 -1.269 1.00 0.00 +ATOM 9 H 1 1.410 -1.631 0.942 1.00 0.00 +ATOM 10 H 1 -0.262 -2.112 -1.024 1.00 0.00 +ATOM 11 H 1 -2.224 -0.925 0.328 1.00 0.00 +ATOM 12 H 1 -0.468 -0.501 2.315 1.00 0.00 +ATOM 13 H 1 2.224 0.892 -0.134 1.00 0.00 +ATOM 14 H 1 0.240 2.112 1.251 1.00 0.00 +ATOM 15 H 1 -1.565 1.730 -0.831 1.00 0.00 +ATOM 16 H 1 0.472 0.494 -2.315 1.00 0.00 +TER 17 1 +END diff --git a/novice/shell/molecules/ethane.pdb b/novice/shell/molecules/ethane.pdb new file mode 100644 index 0000000..d59ac91 --- /dev/null +++ b/novice/shell/molecules/ethane.pdb @@ -0,0 +1,12 @@ +COMPND ETHANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 -0.752 0.001 -0.141 1.00 0.00 +ATOM 2 C 1 0.752 -0.001 0.141 1.00 0.00 +ATOM 3 H 1 -1.158 0.991 0.070 1.00 0.00 +ATOM 4 H 1 -1.240 -0.737 0.496 1.00 0.00 +ATOM 5 H 1 -0.924 -0.249 -1.188 1.00 0.00 +ATOM 6 H 1 1.158 -0.991 -0.070 1.00 0.00 +ATOM 7 H 1 0.924 0.249 1.188 1.00 0.00 +ATOM 8 H 1 1.240 0.737 -0.496 1.00 0.00 +TER 9 1 +END diff --git a/novice/shell/molecules/methane.pdb b/novice/shell/molecules/methane.pdb new file mode 100644 index 0000000..7908351 --- /dev/null +++ b/novice/shell/molecules/methane.pdb @@ -0,0 +1,9 @@ +COMPND METHANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 0.257 -0.363 0.000 1.00 0.00 +ATOM 2 H 1 0.257 0.727 0.000 1.00 0.00 +ATOM 3 H 1 0.771 -0.727 0.890 1.00 0.00 +ATOM 4 H 1 0.771 -0.727 -0.890 1.00 0.00 +ATOM 5 H 1 -0.771 -0.727 0.000 1.00 0.00 +TER 6 1 +END diff --git a/novice/shell/molecules/octane.pdb b/novice/shell/molecules/octane.pdb new file mode 100644 index 0000000..581be2e --- /dev/null +++ b/novice/shell/molecules/octane.pdb @@ -0,0 +1,30 @@ +COMPND OCTANE +AUTHOR DAVE WOODCOCK 96 01 05 +ATOM 1 C 1 -4.397 0.370 -0.255 1.00 0.00 +ATOM 2 C 1 -3.113 -0.447 -0.421 1.00 0.00 +ATOM 3 C 1 -1.896 0.386 -0.007 1.00 0.00 +ATOM 4 C 1 -0.611 -0.426 -0.198 1.00 0.00 +ATOM 5 C 1 0.608 0.405 0.216 1.00 0.00 +ATOM 6 C 1 1.892 -0.400 0.001 1.00 0.00 +ATOM 7 C 1 3.113 0.429 0.414 1.00 0.00 +ATOM 8 C 1 4.397 -0.374 0.199 1.00 0.00 +ATOM 9 H 1 -4.502 0.681 0.785 1.00 0.00 +ATOM 10 H 1 -5.254 -0.243 -0.537 1.00 0.00 +ATOM 11 H 1 -4.357 1.252 -0.895 1.00 0.00 +ATOM 12 H 1 -3.009 -0.741 -1.467 1.00 0.00 +ATOM 13 H 1 -3.172 -1.337 0.206 1.00 0.00 +ATOM 14 H 1 -1.992 0.668 1.044 1.00 0.00 +ATOM 15 H 1 -1.849 1.286 -0.621 1.00 0.00 +ATOM 16 H 1 -0.515 -0.707 -1.248 1.00 0.00 +ATOM 17 H 1 -0.659 -1.326 0.417 1.00 0.00 +ATOM 18 H 1 0.520 0.671 1.270 1.00 0.00 +ATOM 19 H 1 0.645 1.314 -0.386 1.00 0.00 +ATOM 20 H 1 1.979 -0.666 -1.054 1.00 0.00 +ATOM 21 H 1 1.855 -1.309 0.604 1.00 0.00 +ATOM 22 H 1 3.030 0.696 1.467 1.00 0.00 +ATOM 23 H 1 3.155 1.337 -0.188 1.00 0.00 +ATOM 24 H 1 4.493 -0.641 -0.854 1.00 0.00 +ATOM 25 H 1 4.368 -1.282 0.801 1.00 0.00 +ATOM 26 H 1 5.254 0.230 0.498 1.00 0.00 +TER 27 1 +END diff --git a/novice/shell/molecules/pentane.pdb b/novice/shell/molecules/pentane.pdb new file mode 100644 index 0000000..1eef172 --- /dev/null +++ b/novice/shell/molecules/pentane.pdb @@ -0,0 +1,21 @@ +COMPND PENTANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 2.484 -0.389 0.322 1.00 0.00 +ATOM 2 C 1 1.261 0.350 -0.243 1.00 0.00 +ATOM 3 C 1 -0.027 -0.348 0.199 1.00 0.00 +ATOM 4 C 1 -1.249 0.421 -0.326 1.00 0.00 +ATOM 5 C 1 -2.536 -0.311 0.047 1.00 0.00 +ATOM 6 H 1 2.471 -1.420 -0.033 1.00 0.00 +ATOM 7 H 1 2.443 -0.371 1.412 1.00 0.00 +ATOM 8 H 1 3.393 0.112 -0.016 1.00 0.00 +ATOM 9 H 1 1.324 0.350 -1.332 1.00 0.00 +ATOM 10 H 1 1.271 1.378 0.122 1.00 0.00 +ATOM 11 H 1 -0.074 -0.384 1.288 1.00 0.00 +ATOM 12 H 1 -0.048 -1.362 -0.205 1.00 0.00 +ATOM 13 H 1 -1.183 0.500 -1.412 1.00 0.00 +ATOM 14 H 1 -1.259 1.420 0.112 1.00 0.00 +ATOM 15 H 1 -2.608 -0.407 1.130 1.00 0.00 +ATOM 16 H 1 -2.540 -1.303 -0.404 1.00 0.00 +ATOM 17 H 1 -3.393 0.254 -0.321 1.00 0.00 +TER 18 1 +END diff --git a/novice/shell/molecules/propane.pdb b/novice/shell/molecules/propane.pdb new file mode 100644 index 0000000..21ad7c4 --- /dev/null +++ b/novice/shell/molecules/propane.pdb @@ -0,0 +1,15 @@ +COMPND PROPANE +AUTHOR DAVE WOODCOCK 95 12 18 +ATOM 1 C 1 1.241 0.444 0.349 1.00 0.00 +ATOM 2 C 1 -0.011 -0.441 0.333 1.00 0.00 +ATOM 3 C 1 -1.176 0.296 -0.332 1.00 0.00 +ATOM 4 H 1 1.516 0.699 -0.675 1.00 0.00 +ATOM 5 H 1 2.058 -0.099 0.827 1.00 0.00 +ATOM 6 H 1 1.035 1.354 0.913 1.00 0.00 +ATOM 7 H 1 -0.283 -0.691 1.359 1.00 0.00 +ATOM 8 H 1 0.204 -1.354 -0.225 1.00 0.00 +ATOM 9 H 1 -0.914 0.551 -1.359 1.00 0.00 +ATOM 10 H 1 -1.396 1.211 0.219 1.00 0.00 +ATOM 11 H 1 -2.058 -0.345 -0.332 1.00 0.00 +TER 12 1 +END diff --git a/novice/shell/scripting/backup/chloratin.dat b/novice/shell/scripting/backup/chloratin.dat new file mode 100644 index 0000000..1d140ca --- /dev/null +++ b/novice/shell/scripting/backup/chloratin.dat @@ -0,0 +1,89 @@ +13.2225981178 +6.58990945771 +27.532703075 +9.43769494502 +1.3467816823 +7.82545065646 +0.576978414144 +0.907420611165 +3.39364707458 +8.02167246695 +5.08972237994 +1.19543573131 +21.5875314097 +12.4585353177 +5.56343870025 +1.26535620676 +0.223429818882 +22.6916316888 +0.690702270963 +6.57942900643 +0.142430118047 +18.4038362765 +2.60509639182 +1.20027239106 +2.21323374862 +1.81848235752 +2.38287996536 +16.4042543997 +6.94897880428 +1.99218591712 +2.02210484188 +0.862269572567 +2.42733557886 +21.3971580252 +9.18506559201 +2.30326955185 +1.27498534582 +0.337256718224 +14.0665100936 +0.902350139749 +7.94581937289 +1.56495099727 +0.800385024061 +11.0838255358 +9.64431334851 +4.59618233792 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0.483 1.00 0.00 +ATOM 62 H 1 4.771 -0.279 -1.183 1.00 0.00 +ATOM 63 H 1 5.715 -2.416 -0.199 1.00 0.00 +ATOM 64 H 1 5.912 -1.519 1.317 1.00 0.00 +ATOM 65 H 1 7.019 -0.764 -1.416 1.00 0.00 +ATOM 66 H 1 8.153 -2.690 -0.370 1.00 0.00 +ATOM 67 H 1 8.422 -1.741 1.114 1.00 0.00 +ATOM 68 H 1 9.216 -1.265 -0.409 1.00 0.00 +ATOM 69 H 1 7.340 0.601 1.292 1.00 0.00 +ATOM 70 H 1 6.578 1.277 -0.175 1.00 0.00 +ATOM 71 H 1 8.324 0.961 -0.149 1.00 0.00 +ATOM 72 H 1 1.483 0.513 -2.162 1.00 0.00 +ATOM 73 H 1 1.515 -1.282 -2.203 1.00 0.00 +ATOM 74 H 1 3.013 -0.348 -2.301 1.00 0.00 +TER 75 1 +END diff --git a/novice/shell/scripting/girmanis.dat b/novice/shell/scripting/girmanis.dat new file mode 100644 index 0000000..ea455f5 --- /dev/null +++ b/novice/shell/scripting/girmanis.dat @@ -0,0 +1,182 @@ +2.22194282785 +4.51450893504 +10.5977422544 +3.81299345006 +29.0725144452 +1.88248749213 +9.78131961326 +0.169091626272 +4.09666933365 +23.4033558273 +1.13388623391 +26.2883711907 +17.647788777 +18.2714432264 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+12.444214431 +6.49989566664 +8.90863151975 +0.563272225681 +18.2814486748 +3.09062407322 +14.8914979936 diff --git a/novice/shell/scripting/sphagnoi.dat b/novice/shell/scripting/sphagnoi.dat new file mode 100644 index 0000000..11f6fa6 --- /dev/null +++ b/novice/shell/scripting/sphagnoi.dat @@ -0,0 +1,91 @@ +4.61015556036 +5.07386018968 +0.982384146904 +11.0110885779 +11.4860592165 +26.1097230069 +1.72178712823 +1.82774816692 +1.72268878904 +12.8777931911 +2.76352970249 +13.8040029583 +12.4177825555 +12.080337324 +7.42751054976 +0.945912961107 +25.0407456116 +11.2207516835 +2.12344191746 +3.64066271043 +12.3600093348 +1.3718275345 +3.04050545892 +0.399476788661 +2.87403045585 +7.14773926302 +3.9617337599 +0.0254369758873 +25.7986364201 +2.55644033634 +6.96657454324 +2.23407175115 +1.16907945584 +4.35167234803 +11.7392149238 +0.938386276979 +4.89190525793 +15.0722444576 +5.14676513088 +22.663691112 +9.61947084941 +1.82955958656 +0.123801398214 +9.46761688436 +1.29298211359 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-1.028 0.032 +ATOM 3 C 1 -6.900 -0.427 0.103 +ATOM 4 C 1 -6.894 1.007 0.608 +ATOM 5 C 1 -5.886 1.795 -0.219 +ATOM 6 C 1 -4.438 1.332 0.029 +ATOM 7 C 1 -4.019 1.807 1.437 +ATOM 8 C 1 -3.629 2.059 -1.044 +ATOM 9 C 1 -5.409 -2.558 0.048 +ATOM 10 C 1 -3.108 -0.890 -0.360 +ATOM 11 C 1 -1.819 -0.374 -0.094 +ATOM 12 C 1 -0.646 -1.096 -0.404 +ATOM 13 C 1 0.579 -0.383 -0.468 +ATOM 14 C 1 1.788 -0.987 -0.861 +ATOM 15 C 1 2.994 -0.265 -0.829 +ATOM 16 C 1 4.237 -0.901 -1.024 +ATOM 17 C 1 5.406 -0.117 -1.087 +ATOM 18 C 1 -0.696 -2.628 -0.641 +ATOM 19 C 1 4.311 -2.434 -1.137 +ATOM 20 C 1 6.794 -0.746 -1.278 +ATOM 21 O 1 7.789 0.254 -1.348 +ATOM 22 H 1 -7.522 -1.026 0.767 +ATOM 23 H 1 -7.342 -0.450 -0.893 +ATOM 24 H 1 -6.641 1.037 1.667 +ATOM 25 H 1 -7.887 1.439 0.484 +ATOM 26 H 1 -5.987 2.853 0.025 +ATOM 27 H 1 -6.135 1.668 -1.274 +ATOM 28 H 1 -4.520 1.220 2.206 +ATOM 29 H 1 -4.277 2.859 1.560 +ATOM 30 H 1 -2.950 1.704 1.600 +ATOM 31 H 1 -3.901 3.112 -1.116 +ATOM 32 H 1 -3.751 1.596 -2.024 +ATOM 33 H 1 -2.555 2.106 -0.869 +ATOM 34 H 1 -4.653 -2.892 0.760 +ATOM 35 H 1 -5.152 -2.930 -0.944 +ATOM 36 H 1 -6.372 -2.973 0.342 +ATOM 37 H 1 -3.181 -1.872 -0.798 +ATOM 38 H 1 -1.717 0.575 0.399 +ATOM 39 H 1 0.592 0.669 -0.212 +ATOM 40 H 1 1.791 -2.011 -1.198 +ATOM 41 H 1 2.966 0.797 -0.625 +ATOM 42 H 1 5.328 0.958 -1.004 +ATOM 43 H 1 -0.807 -2.839 -1.705 +ATOM 44 H 1 -1.523 -3.081 -0.095 +ATOM 45 H 1 0.211 -3.112 -0.282 +ATOM 46 H 1 3.849 -2.752 -2.072 +ATOM 47 H 1 3.779 -2.888 -0.300 +ATOM 48 H 1 5.340 -2.786 -1.119 +ATOM 49 H 1 6.808 -1.319 -2.206 +ATOM 50 H 1 7.018 -1.407 -0.440 +ATOM 51 H 1 7.867 0.766 -0.400 +TER 52 1 +END -- 2.26.2