Main Page: Difference between revisions

From PyMOLWiki
Jump to navigation Jump to search
(PyMOL v1.8.2)
No edit summary
Line 5: Line 5:
| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
| New accounts: email jason (dot) vertrees (@) gmail dot com
| New accounts: email accounts (@) sbgrid dot org
|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
|}
|}

Revision as of 16:02, 12 September 2016

Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
New accounts: email accounts (@) sbgrid dot org
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) Getting Help
News & Updates
Official Release PyMOL v1.8.2 has been released on April 20, 2016.
New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
Official Release PyMOL v1.8.0 has been released on Nov 18, 2015.
PyMOL Open-Source Fellowship Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship
Official Release PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released on May 4, 2015.
New Plugin PyANM is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL.
New Plugin Bondpack is a collection of PyMOL plugins for easy visualization of atomic bonds.
New Plugin MOLE 2.0 is a new plugin for rapid analysis of biomacromolecular channels in PyMOL.
3D using Geforce PyMOL can now be visualized in 3D using Nvidia GeForce video cards (series 400+) with 120Hz monitors and Nvidia 3D Vision, this was previously only possible with Quadro video cards.
Older News See Older News.
Did you know...

Expand To Surface

= Overview =

This little script will color the surface of your protein the same color as the b-factors from the alpha carbons of each amino acid. This script is useful when you want to color a protein by the b-factor column, but all you have in the b-factor for each alpha carbon. If you try to color a surface based only on the alpha carbon b-factors, then the surface isn't rendered as you typically want.

Note: This script, once run in PyMOL, is called e2s. See examples, below.

Example

# in PyMOL type the following

# fetch 1cll
fetch 1cll

# load your b-factor column; for "1cll" you can simulate fake data
# by writing 144 random integers to /tmp/bb.  If you have some real
# data, then put that there.  1 row for each alpha carbon.
f = open('/tmp/bb', 'r').readlines();

# alter the alpha carbon coords
alter *,b=0
alter n. CA, b=f.pop(0)

# color the surface
e2s 1cll

You can make fake data in a shell by quickly executing: <source lang="python">

  1. in a BASH shell, type the ..→
A Random PyMOL-generated Cover. See Covers.