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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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|+ style="font-size:210%; font-weight: bold; color:#000000; text-align:center; padding: 5px; margin-bottom: 4px;" | Welcome to the PyMOL Wiki!
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| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
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== [[Initial Wiki Layout Suggestion]] == (Warren Delano)
{| align="center" width="45%" style="background: #FFFFFF; margin-bottom: 4em; border-bottom: 1px solid #AFB29E; border-left: 1px solid #AFB29E; border-right: 1px solid #AFB29E;"
* [[Mouse Controls]]
|+ 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
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|-
* [[Atom Selections]]
| 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]]'''
* [[Ray-tracing]]
|-
* [[Movies and Animations]]
| 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]]'''
* [[Cartoon Representations]]
|-
* [[Settings Reference (all settings and what they do)]]
| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[Gallery]]''' | '''[[Covers]]'''
* [[Stereo 3D Display]]
||'''[[CheatSheet|PyMOL Cheat Sheet]]''' (''[[Media:PymolRef.pdf|PDF]]'')
** [[Hardware Options]]
||'''[[PyMOL_mailing_list|Getting Help]]'''
** [[Linux XFree86 Configuration]]
|}
* [[Crystallography Aplications]]
** [[Symmetry]]
** [[Electron Density]]
* [[Arbitrary Graphics Objects]]
* [[Python Integration]]
* [[Scenes]]


== [[User Additions]] ==
{| width="100%"
* [[Installation]] ([[User:Tree|Tree]])
| style="vertical-align: top; width: 40%" |
** [[Hardware Requirements]]
{| class="jtable" style="float: left; width: 90%;"
** [[Software Requirements]]
|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
** [[OS Dependent]]
|-
*** [[Linux]]
! Official Release
*** [[MAC]]
| [https://pymol.org PyMOL v3.0 has been released] on March 12, 2024.
*** [[Windows]]
|-
*** [[Script Library]]
! 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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* [[NMR Applicaitons]] (Doug Kojetin)
|}
* [[Plugins/Modules]] (Doug Kojetin)
** [[APBS Plugin]]
 
* [[Plugins]] (Michael George Werner)
** [[List of Plugins]]
** [[Tutorial on writing plugins]]
** [[Others]]
 
* [[Structure Alignment]] (Nat Echols)
** [[Structure Alignment Editor]]
* [[3rd Party Applications]]
** [[Movies]]
** [[Codecs]]
 
* * [[Displaying biochemical properties]] (Kristian Rother)
* [[Coloring molecules]]
* [[Rendering molecules]]
** [["basics of displaying molecules".]]
** [["displaying basic chemical properties", like double bonds, h-bonds, bond angles and b-factors.]]
* [[Modeling and editing structures. ]]
* [[How to do electrostatics and energy minimization.]]
* [[Launching PyMOL (has been asked often)]]
* [[Some kind of "script collection" would be very useful.]]
 
----
[[User:Tree|Tree]] 02:09, 16 Feb 2005 (CST)
----

Revision as of 11:54, 12 March 2024

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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
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...

BiologicalUnit/Quat

Note: PyMOL 1.8 can load biological units from mmCIF files with the assembly setting.

Included in psico
This command or function is available from psico, which is a PyMOL extension.

Module (biomolecule) psico.xtal (biomolecule)

This script does more or less the same as BiologicalUnit. It creates the quaternary structure (BIOMOLECULE 1 assembly) from the REMARK 350 header.

This script is convenient to use because it searches automatically for the PDB file in the current directory, in fetch_path and (if available) in your local PDB mirror.

Also available from psico, but the command is called biomolecule instead of quat.

Example Usage

fetch 3bw1, type=pdb
quat 3bw1
as cartoon

The Code

<source lang="python"> (c) 2010-2011 Thomas Holder, MPI for Developmental Biology

Module for reading REMARK records from PDB files and in particular generate quaterny structure from REMARK 350.

import sys, os from pymol ..→

A Random PyMOL-generated Cover. See Covers.


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