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| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
 
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| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
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| [https://pymol.org PyMOL v2.3 has been released] on February 11, 2019.
 
 
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| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
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| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
 
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! Selection keywords
 
! Selection keywords

Latest revision as of 03:21, 22 June 2021

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Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
To request a new account, email SBGrid at: 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 v2.5 has been released on May 10, 2021.
Python 3 New Python 3 compatibility guide for scripts and plugins
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
New Plugin PICv is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll!
Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL
New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
Older News See Older News.
Did you know...

ToGroup

Type Python Script
Download togroup.py
Author(s) Jason Vertrees
License -
This code has been put under version control in the project Pymol-script-repo

Overview

toGroup will convert a multistate object into a group of single-state objects. Be warned, by default it deletes your original object (since it's extracting a copy).

PyMOL does a great job at handling multistate objects and grouping them together. One thing that I found myself doing over and over again was

  • loading a multistate object (say a PDBQT file with 100 ligand poses)
  • splitting that object into all 100 states, with some given prefix
  • then grouping them into their own group
  • and then finally removing the original.

This became tedious, so I automated that with this script.

Examples

# A multistate object (20 NMR states)
fetch 1nmr

# Create the group called,  "nmrEnsemble"
# from '1nmr' and name all the new states state1,
# state2, state3, etc.
toGroup nmrEnsemble, 1nmr, prefix=state

The Code

<source lang="python"> import pymol from ..→

A Random PyMOL-generated Cover. See Covers.


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