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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
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! Official Release
| [http://pymol.org PyMOL v1.8.2 has been released] on April 20, 2016.
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! New Script
! New Script

Revision as of 10:57, 20 April 2016

Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
New accounts: email jason (dot) vertrees (@) gmail dot com
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.