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== PyMol Wiki Home ==
__NOTOC__
You have reached the (new) home of the PyMolWiki, a user-driven web-oriented CMS.
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{| align="center" style="padding-bottom: 3em;"
|+ style="font-size:210%; font-weight: bold; color:#000000; text-align:center; padding: 5px; margin-bottom: 4px;" | Welcome to the PyMOL Wiki!
|- style="text-align:center; font-weight: normal; color: #000000; font-size: 120%; font-family: sans-serif;"
| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
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=== Helping ===
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If you feel like helping out, please login and get to work. :-) For design/layout purposes you must be logged in to edit pages.  We now need people to assist with
|+ style="font-size: 1.4em; font-weight: bold; color: #FFFFFF; text-align:center; background: #000000; padding-top:0.5em; padding-bottom: 0.25em; border-top: 2px solid #000000; border-bottom: 1px solid #fff;" |Quick Links
|-
| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[:Category:Tutorials|Tutorials]]''' || '''[[TOPTOC|Table of Contents]]''' || '''[[:Category:Commands|Commands]]'''
|-
| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[:Category:Script_Library|Script Library]]''' || '''[[:Category:Plugins|Plugins]]''' || '''[[:Category:FAQ|FAQ]]'''
|-
| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[Gallery]]''' | '''[[Covers]]'''
||'''[[CheatSheet|PyMOL Cheat Sheet]]''' (''[[Media:PymolRef.pdf|PDF]]'')
||'''[[PyMOL_mailing_list|Getting Help]]'''
|}


* Wiki schema/design/organization: Below you'll find the current layout design
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* Graphic design and CSS layout: We need logos, BG images and CSS layout
| style="vertical-align: top; width: 40%" |
* Importing the email list content: We have (lots) of email to sift through, extract data from and import into the Wiki
{| class="jtable" style="float: left; width: 90%;"
* Smoothing out the edges: Editors are needed just to fix our typos!
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
* Etc...
|-
! Official Release
| [https://pymol.org PyMOL v3.0 has been released] on March 12, 2024.
|-
! New Plugin
| [[CavitOmiX|CavitOmiX]] calculate [https://innophore.com Catalophore™ cavities], predict protein structures with [https://www.nvidia.com/en-us/gpu-cloud/bionemo OpenFold by NVIDIA-BioNeMo], [https://ai.facebook.com/blog/protein-folding-esmfold-metagenomics/ ESMFold] and retrieve [https://www.deepmind.com/research/highlighted-research/alphafold Alphafold] models
|-
! Official Release
| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
|-
! Python 3
| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
|-
! POSF
| [https://pymol.org/fellowship New PyMOL fellowship announced for 2022-2023]
|-
! Tutorial
| [[Plugins Tutorial]] updated for PyQt5
|-
! New Plugin
| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
|-
! Selection keywords
| New [[Selection Algebra|polymer.protein and polymer.nucleic]] selection keywords. Thanks everyone who participated in the [https://goo.gl/forms/r0Ck03VTytZQxN4A2 poll]!
|-
! Plugin Update
| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|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|Older News]].
|}
|style="vertical-align: top; width: 40%"|
{| class="jtable" style="float: right; width: 90%"
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" |Did you know...
|-
|<div class="didyouknow" >
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=== Editors Needed ===
|}
If you feel you have the time to help import data into the PyMol wiki, please email [[User:Tree|Tree]].
 
We need your help.  So join today & happy editing!
 
[[User:Tree|Tree]]
== Section Layout ==
Please do not ADD any content to the site yet.  Just Organize the following list as logically as possible.  Here's my first go at it.
 
=== Layout Schema ===
# [[Technical Issues]] (installation, hardware)
## [[Installation]]
### [[OS Dependent]]
#### [[Linux]]
#### [[MAC]]
#### [[Windows]]
# [[Graphics]]
## [[Stereo 3D Display]]
### [[Hardware Options]]
### [[Linux XFree86 Configuration]]
# [[Basic Usage (controls, rendering, selections)]]
## [[Launching PyMOL (has been asked often)]]
## [[Interface]]
### [[Mouse Controls]]
## [[Atom Selections]]
## [[Concepts/Basics of displaying molecules]]
### [[Cartoon Representations]]
### [[Rendering molecules]]
#### [[Coloring molecules]]
#### [[Displaying biochemical properties]]
## [[:Category:Commands|Command Language]]
## [[Ray-tracing]]
## [[Movies and Animations]]
### [[Scenes]]
## [[Settings Reference (all settings and what they do)]]
## [[Structure Alignment]]
### [[Structure Alignment Editor]]
# [[Advanced Issues]] (Ray tracing, settings)
## [[Launching PyMOL (has been asked often)]]
## [[Advanced Atom Selections]]
## [[Modeling and editing structures.]]
### [[Editing atoms]]
### [[Molecular sculpting]]
### [[Homology modeling]]
## [[Image Manipulation]]
### [[labels]]
### [[Photoshop/GIMP]]
### [[Stereo Figures]]
### [[Creating publication-quality images HOWTO]]
# [[Scripting]]
## [[Script Library]]
## [[Some kind of "script collection" would be very useful]]
# [[Plugins]]
## [[List of Plugins]]
## [[How to do electrostatics and energy minimization.]]
### [[APBS Plugin]]
## [[rtools Plugin]]
## [[Tutorial on writing plugins]]
## [[Others]]
# [[High-level applications]] (Crystallography, NMR)
## [[Crystallography Applications]]
### [[Symmetry]]
### [[Electron Density]]
## [[NMR Applications]]
### [[Working with a Family of Structures]]
### [[Superimposition and RMSD]]
### [[NMR Restraints Analysis]]
# [[3rd Party Software]]
## [[3rd Party Applications]]
### [[Movies]]
### [[Codecs]]
# [[Python Integration]]
# [[Using PyMol For Unintended Uses]] (OpenGL Object Renderer)
## [[Arbitrary Graphics Objects]]
----
[[User:Tree|Tree]] 02:09, 16 Feb 2005 (CST)
----

Latest revision as of 11:54, 12 March 2024

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 v3.0 has been released on March 12, 2024.
New Plugin CavitOmiX calculate Catalophore™ cavities, predict protein structures with OpenFold by NVIDIA-BioNeMo, ESMFold and retrieve Alphafold models
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 fellowship announced for 2022-2023
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...

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.


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