Main Page: Difference between revisions

From PyMOLWiki
Jump to navigation Jump to search
No edit summary
No edit summary
Line 34: Line 34:
! Python 3
! Python 3
| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
|-
! Official Release
| [https://pymol.org PyMOL v2.3 has been released] on February 11, 2019.
|-
|-
! POSF
! POSF

Revision as of 05:05, 5 March 2021

hosted by SBGridlogo2.jpg
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 v2.4 has been released on May 20, 2020.
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...

Super

super aligns two selections.

It does a sequence-independent (unlike align) structure-based dynamic programming alignment followed by a series of refinement cycles intended to improve the fit by eliminating pairing with high relative variability (just like align). super is more robust than align for proteins with low sequence similarity.

Usage

See align command.

Caveats

  • Alternative Conformations: If super ever tells you no matched atoms, then instead of
    super p1, p2
    
    try
    super p1 & alt A+'', p2 & alt B+''
    

User Scripts

Write rmsd to file

pymol_rmsd_test.pml

reinitialize

fetch 1F9J, async=0
fetch 1YX5, async=0

extract 1F9J_A, 1F9J and chain A
extract 1YX5_B, 1YX5 and chain B

test=cmd.super("1F9J_A","1YX5_B")

python
writefile=open("rmsd_file.txt","a")
writefile.write(' '.join('%s' % x for x in test))
writefile.write('\n')
writefile.close()
python end

In ..→

A Random PyMOL-generated Cover. See Covers.