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| 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.
 
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|- style="text-align:center; font-weight:bold; color: #6d6003; font-size: 140%; font-style: italic; font-family: serif;"
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Revision as of 17:26, 12 September 2016

Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
To request a new account, 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...

AutoMultiFit

= OVERVIEW =

AutoMultiFit will fit all given chain(s) in all given state(s) to any other given chain(s) in any other given state(s) for some given selection within a homo-oligomer. So, if you have an MD trajectory or NMR ensemble of a tertramer, for example, over 20 states this program could calculate the RMS values for residues 10-30 in chain A's state 17, against all of chain C. Or all states in all chains against each other.

See the notes in the code for usage.

The Code

<source lang="python">

  1. autoMultiFit.py -- Given a homo-oligomer in N-states, fit any combination of chains across states
  2. AUTHOR: Jason Vertrees
  3. DATE : 2009-11-02

import pymol from pymol import cmd

def autoMultiFit(sel, fromChain="*", fromState="*", toChain="*", toState="*", verbose=None):

   """
   FUNCTION
     Given a homo-oligomer in N-states (say from MD), fit any
     combination of chains/selections across states. See Usage, Examples and Notes.
   USAGE
     autoMultiFit sel,  ..→
A Random PyMOL-generated Cover. See Covers.