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News & Updates
Official Release PyMOL, AxPyMOL, and JyMOL v1.7.2 have all been released on August 4, 2014.
Official Release PyMOL, AxPyMOL, and JyMOL v1.7 have all been released today, January 14, 2014.
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.
New Plugin GROMACS_Plugin is a new plugin that ties together PyMOL and GROMACS.
New Software CMPyMOL is a software that interactively visualizes 2D contact maps of proteins in PyMOL.
New Script cgo_arrow draws an arrow between two picked atoms.
Tips & Tricks Instructions for generating movie PDFs using .mpg movies from PyMOL.
Older News See Older News.
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ToGroup

Type Python Script
Download scripts/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 ..→

A Random PyMOL-generated Cover. See Covers.