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Revision as of 11:11, 14 June 2018

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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
POSF PyMOL Open-Source Fellowship program accepting applications for 2018-2019
New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures.
Official Release PyMOL v2.1 has been released on March 13, 2018.
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
New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
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...

Select sites

Type Python Script
Download select_sites.py
Author(s) Thomas Holder & Troels Linnet
License BSD-2-Clause
This code has been put under version control in the project Pymol-script-repo

select_sites make named selections from SITE, LINK, SSBOND, HET records.
A super fast way to annotate the protein, according to the authors input i pdb file.

See:
http://www.wwpdb.org/procedure.html#toc_10

For instance, trypsin (http://www.rcsb.org/pdb/files/1SGT.pdb?headerOnly=YES):

SITE     1 CAT  3 HIS A  57  ASP A 102  SER A 195
SITE     1 AC1  6 ASP A 165  ALA A 177A GLU A 180  GLU A 230
SITE     2 AC1  6 HOH A 259  HOH A 261

This requires that the authors have performed annotation in the pdb file.

Usage

import select_sites
select_sites [ selection [, filename [, prefix [, nice [, quiet ]]]]]

nice = 0 or 1: make colored sticks representation for sites {default :1}

Example

fetch 1sgt, async=0
import select_sites
select_sites

Or fetch and select_sites in one ..→

A Random PyMOL-generated Cover. See Covers.