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Revision as of 18:36, 4 January 2016

Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
New accounts: email jason (dot) vertrees (@) gmail dot com
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) Getting Help
News & Updates
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...

Get Coordinates I

There are several ways to extract or load atomic coordinates in PyMOL using the python API.

Extract coordinates using get_coords

New in PyMOL 1.7.4. This is the fastest method to extract coordinates from a selection. It considers the object rotation matrix.

xyz = cmd.get_coords('sele', 1)

Extract coordinates using get_coordset

New in PyMOL 1.7.4. Operates on the object-state level, not on selections. Does not consider the object rotation matrix. Retrieves coordinates in original order (e.g. PDB file atom order), not in sorted atom order. Faster than get_coords.

xyz = cmd.get_coordset(objectname, 1)

Extract coordinates using get_model

Before 1.7.4, this was the fastest method to extract coordinates. It considers the object rotation matrix.

xyz = cmd.get_model('sele', 1).get_coord_list()

Extract coordinates using iterate_state

This is much slower than the first ..→

A Random PyMOL-generated Cover. See Covers.