Remove Cmd+select To Highlight

The PyMol Viewer Window The second window is the PyMOL Viewer, which is where all the magic happens. In the Viewer, 3D models are displayed, and the user interacts (eg rotates) and manipulates the model. The objects that PyMOL renders in 3D are loaded from coordinate files that describe (in great detail) locations of individual atoms in the molecule. PyMOL can display more than one object at a time, and provides an Object Control Panel to adjust viewing modes, colors, labels, hiding, and just about anything else relating to objects.

After each object name is a set of command buttons which control the object. Here are the buttons and some of their options:. A - Actions: Rename, duplicate, remove, apply presets (like 'ball-and-stick' or 'publication'), perform computations. S - Show: Change the way things appear, eg change to stick or cartoon view. H - Hide: Things that are shown using S accumulate, and don't automatically replace the last view.

H is the opposite of S and hides unwanted representations. L - Label: Label atoms, residues, etc. C - Color: Change the color of atoms and groups. The lower-right corner of the Viewer contains a guide to using the mouse, as well as a powerful selection tool. There is also another command line at the bottom of the Viewer ( PyMOL).

About the command line The PyMOL command line is a great tool that lets the experienced user change all sorts of options that simply don't appear in the point-and-click graphical interface. It can also be a lot faster. Combined with scripting, it is a powerful option for automating tasks and making intricate sets of changes. But, it's complex, and page upon page of PyMOL documentation cover these commands, so we're going to ignore them as much as possible. Although this guide may include some text commands and links to more advanced documentation, they're purely optional and meant to be informative. To run any text command, type it in at a PyMOL command line and hit Enter.

Getting started: explore a protein PyMOL is great for casual visualization of biological molecules. In this example, a PDB file describing a protein is loaded and its style and color are tweaked.

Fetch 1 bl8 and you can skip the next step (see command), as PyMOL will open the file for you. Open the PDB file using File = Open. From the menu bar. The protein's structure will appear, probably rendered as simple bonding lines. The right side of the Viewer shows the loaded PDB as an object, as well as its command buttons. Each button contains a submenu with more options. Click S, then cartoon to show the protein's secondary structure in popular cartoon form.

Notice that the lines view is still visible on top of the cartoon view. To hide the lines, click H then lines. To change the color of each protein chain (as defined in the coordinate file), click C then select chainbows from the by chain menu. 'Chainbows' colors residues in each protein chain as a rainbow that begins with blue and ends with red.

Another common coloring method assigns a single color to each chain. Click C then select by chain from the by chain menu. Click and drag the protein to change the view.

A list of mouse buttons is below the object control panel. Rota: Rotate. Move: Translate object along an axis. MoveZ: aka Zoom. Sele: Select.

Slab:. Cent:. PkAt: Related Commands, What else can this thing do? So, now what? Good question.

PyMOL is a powerful program, and everyone uses it for something different. The remainder of this guide is devoted to common tasks that come in handy. Saving an image You've found the perfect view, and you'd like to it?. Change the size of the viewer and zoom in/out to make the image the right size.

Images are saved exactly as they appear in the viewer, and the size of the viewer determines the size of the image. For example, images for printing and presenting should be larger than images for a posting on a website.

Because PyMOL was designed to run on older computers, the maximum quality is not enabled by default. To change this, select Display, Quality, Maximum Quality. Notice that round things are rounder, curves are curvier, and color shading is smoother.

Once you've found the appropriate view, save an image using File, Save Image. An picture of the current view will be saved in PNG format. Tip: Using the command before saving an image will create a higher quality version with shadows, etc. This can take time, depending on the size of the image and speed of the computer, but the images created after ray tracing are usually spectacular. However, the ray tracing disappears if the view is changed in any way.

Selecting parts of an object Sometimes it might be useful to select part of an object and modify it directly; for example, selecting active-site residues in a protein to highlight them in another color. In the lower-right corner of the Viewer, next to the animation controls, is an S button (not to be confused with the Show button in the object control panel) that activates the selection tool.

The selection tool can be changed to select atoms or residues by clicking Selecting Residues(or whatever) until the right mode appears. Once selecting is activated, a list of parts to select appears at the top of the Viewer.

Select things clicking or dragging across a range. Selections can be controlled individually in the object control panel, just like any other object.

To save a selection, select rename from the A menu. Whoops: Getting unstuck PyMOL is a program meant to be explored and played with, and sometimes funny things happen in the process. A few common problems:. The model disappeared: Sometimes while rotating and moving a model, it can get lost.

Right-click the background of the viewer, and select reset from the Main Pop-Up. The model should return to view; if it doesn't, make sure the object is being drawn using the S menu. The model has funny colors, labels, etc and they won't go away: The H menu in the object control panel will remove unwanted details; however, sometimes it's difficult to know exactly what to remove. Select H, then everything to hide all details and start fresh. Things are really messed up: Use File, Reinitalize to reset PyMOL to its initial state, but all work will be lost. Related Commands, Saving work PyMOL supports saving your work in various formats. You can save, images, molecules, sessions, movies, etc.

Sessions A PyMOL sessions retains the state of your PyMOL instance. You can save the session to disk and reload it later.

Remove Command Select To Highlights

You can setup a complicated scene, with transitions and more, and simply save it as a PyMOL Session (.pse) file. Use, File= Save Session or Save Session As. Loading sessions is just as easy: File= Load and choose your session file. Molecules You can save a molecule by selecting File= Save Molecule. A dialog box will appear from which you can select your molecule to save. You can also save an object or selection using the command. It's very easy.

Pdb, resn HOH Images You can save images that you've rendered (with ) or drawn (with ) again using the command or by File= Save Image. You can save in, VRML-2 and the POVRay formats. You can save images to disk, through the command line, by using the command. Movies PyMOL allows you to save movies you've created, too.

You can automatically save the MPEG or save a series of PNG files-for stitching together later. This is a new command, and I don't know too much about it. Use File= Save Movie.

Scripting Introduction and Very Simple Scripting Scripting in PyMOL ranges from very simple to very intricate. You can make a simple loop (say rotating a molecule one-degree at a time) or execute full featured scripts. Once you've got the basics of PyMOL down, learning scripting will greatly enhance your productivity and capabilities. Because of the way PyMOL is built on top of the Python interpreter, any command that PyMOL doesn't recognize it passes on to Python to execute. This is a very handy feature-you essentially have a live Python interpreter you can interact with, which makes your life much easier. Take the following for example. For x in range ( 0, 100, 10 ): cmd.

Set ( 'specdirectpower', float ( float ( x ) / f )) cmd. Png ( 'specdirpower' + str ( x ) + '.png', ray = 1 ) This simple script of 4 lines will create 10 images each one with the changed (see the for the output of this script; the animated GIF). Did you notice that f on line 1 and for and x on line 2 are not PyMOL commands or symbols?

You can simply write Python code that interacts with PyMOL. The Python MiniShell Taking this one level higher, you can write little code snippets, like 10-20+ lines of code that perform some specific task and wrap these in the python and python end commands. (If your script ever makes a mistake, you can abort the endeavor with end instead of python end. The power here is that none of your command are executed until you type python end. Here's the above example in using the wrapper.

Editing and Deleting Text So far we've looked at a number of ways to move around and select regions of a file, so now let's actually change some of that text. Obviously you can type in order to insert characters, but there are also a number of ways to delete and manipulate text that could come in handy.

Basic Manipulation There are a handful of cool keybindings for basic text manipulation that might come in handy. These range from moving around lines of text and duplicating lines to changing the case.

Cmd+J Ctrl+J - Join the next line to the end of the current line. Cmd+Ctrl+Up/Down Ctrl+Up/Down - Move the current line up or down. Cmd+Shift+D Ctrl+Shift+D - Duplicate the current line. Cmd+K Cmd+U Ctrl+K Ctrl+U - Upper case the current word. Cmd+K Cmd+L Ctrl+K Ctrl+L - Lower case the current word. Ctrl+T - Transpose characters. This swaps the two characters on either side of the cursor.

Atom also has built in functionality to re-flow a paragraph to hard-wrap at a given maximum line length. You can format the current selection to have lines no longer than 80 (or whatever number editor.preferredLineLength is set to) characters using Alt+Cmd+Q Alt+Ctrl+Q. If nothing is selected, the current paragraph will be reflowed. Deleting and Cutting You can also delete or cut text out of your buffer with some shortcuts.

How To Highlight Multiple Files

Ctrl+Shift+K - Delete current line. Alt+Backspace or Alt+H Ctrl+Backspace - Delete to beginning of word. Alt+Delete or Alt+D Ctrl+Delete - Delete to end of word. Cmd+Delete - Delete to end of line. Ctrl+K - Cut to end of line. Cmd+Backspace - Delete to beginning of line Multiple Cursors and Selections One of the cool things that Atom can do out of the box is support multiple cursors. This can be incredibly helpful in manipulating long lists of text.

Cmd+Click Ctrl+Click - Add a new cursor at the clicked location. Ctrl+Shift+Up/Down Alt+Ctrl+Up/Down Alt+Shift+Up/Down - Add another cursor above/below the current cursor. Cmd+D Ctrl+D - Select the next word in the document that is the same as the currently selected word. Cmd+Ctrl+G Alt+F3 - Select all words in the document that are the same as the currently selected word. Cmd+Shift+L - Convert a multi-line selection into multiple cursors Using these commands you can place cursors in multiple places in your document and effectively execute the same commands in multiple places at once. This can be incredibly helpful in doing many type of repetitive tasks such as renaming variables or changing the format of some text. You can use this with almost any plugin or command - for example, changing case and moving or duplicating lines.

You can also use the mouse to select text with the Cmd Ctrl key pressed down to select multiple regions of your text simultaneously. Whitespace Atom comes with several commands to help you manage the whitespace in your document. One very useful pair of commands converts leading spaces into tabs and converts leading tabs into spaces. If you're working with a document that has mixed whitespace, these commands are great for helping to normalize the file.

There are no keybindings for the whitespace commands, so you will have to search your command palette for 'Convert Spaces to Tabs' (or vice versa) to run one of these commands. The whitespace commands are implemented in the package. The settings for the whitespace commands are managed on the page for the whitespace package.