Difference between revisions of "Main Page"

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|+ style="font-size:190%; font-weight: bold; color:#038; text-align:center; padding: 5px; margin-bottom: 15px" | Welcome to the PyMOL Wiki!
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|+ style="font-size: 1.0em; font-weight: normal; color: #FFFFFF; text-align:right; background: #B22222; padding-top:0.5em; padding-bottom: 0.25em; padding-right: 0.60em; border-top: 2px solid #B22222; border-bottom: 1px solid #fff;" |hosted by [[File:SBGridlogo2.jpg|140 px|link=https://sbgrid.org/]]
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|- style="text-align:center; font-weight:bold; color: #333; font-size: 120%"
 
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| ''The community-run support site for the [http://pymol.org PyMOL] molecular viewer.''
 
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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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|- style="text-align:center; font-weight: normal; color: #000000; font-size: 120%; font-family: sans-serif;"
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! style="font-weight: bold; font-size:120%; color: #333; background:#80AFFF;" | New Users
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| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
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|-
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|- style="text-align:center; font-weight:normal; color: #000000; font-size: 120%; font-family: sans-serif;"
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| style="background:#E6EFFF; color:#333; font-size: 110%; padding: 4.5px"| New users are encouraged to [[Special:Userlogin|join]]. Feel free to add any appropriate content; make an account and [[PyMolWiki:Community_Portal|get started]]!
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| To request a new account, email SBGrid at: accounts (@) sbgrid dot org
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! colspan="3" style="font-weight: bold; font-size:120%; color: #333; background:#80AFFF; text-align:center" | Quick Links
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| [[TOPTOC|'''Table of Contents''']]
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|-  
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| 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]]'''
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|| '''PyMOL Cheat Sheet: [[Media:PymolRef.pdf|PDF]] | [[CheatSheet|Wiki Page]]
 
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| [[:Category:Tutorials|Tutorials]] <font color='red'><b>!</b></font>
 
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|| [[:Category:Commands|Commands]]
 
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|| '''Settings''': [[Settings|All]]  | [[:Category:Settings|Documented]]
 
 
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| [[:Category:Script_Library|'''Script Library''']] <font color='red'><b>!</b></font>
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| 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]]'''
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|| [[:Category:Plugins|'''Plugins''']]
 
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| [[:Category:FAQ|Frequently Asked Questions]]
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| style="font-size: 1.1em; font-weight: normal; color #48A2B4; padding: 0.5em 1em 0.5em 3em;"|'''[[Gallery]]''' | '''[[Covers]]'''
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|| [[Gallery|'''Gallery''']] | [[Covers|'''Covers''']]
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||'''[[CheatSheet|PyMOL Cheat Sheet]]''' (''[[Media:PymolRef.pdf|PDF]]'')
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|| [[About| '''About PyMOL''']]
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||'''[[PyMOL_mailing_list|Getting Help]]'''
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|-
 
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| ''Track:'' [http://sourceforge.net/tracker/?atid=104546&group_id=4546&func=browse Bugs] [http://sourceforge.net/tracker/?group_id=4546&atid=354546 Feature Req] [http://sourceforge.net/tracker/?group_id=4546&atid=204546 Support Req]
 
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News about Warren DeLano's passing may be read on [[Warren|Warren's memorial page]]. <br />
 
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|+ style="text-align: left; font-weight:bold; font-size:150%; color:#333; background: #EFE6FF; padding:10px; border: 1px solid #333" | News and Updates ([[Older_News|archive]])
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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News &amp; Updates
 
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! Official Release
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| [https://pymol.org PyMOL v3.0 has been released] on March 12, 2024.
 
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! style="font-weight: bold; font-size: 110%; text-decoration: underline; color: #000; padding: 12px; text-align: left;" | New &mdash; Search the PyMOLWiki via [[GoogleSearch]]
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! New Plugin
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| [[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
 
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! style="font-weight: bold; font-size: 110%; text-decoration: underline; color: #000; padding: 12px; text-align: left;" | PyMOL
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! Official Release
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| [https://pymol.org PyMOL v2.5 has been released] on May 10, 2021.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; PyMOL is known to work under Mac OS X 10+ (Snow Leopard) using the new Fink and incentive builds.  See [[MAC_Install#PyMOL_Install_from_Source.2C_Using_Fink|Installing PyMOL under Fink]].
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! Python 3
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| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
 
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| style="padding: 2px 5px 0px 15px;"| &diams; PyMOL now has a [[Set]] command for basic settings, and a [[Set_bond]] command for bond-only settings.
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! POSF
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| [https://pymol.org/fellowship New PyMOL fellowship announced for 2022-2023]
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Space]]&mdash; new command to control PyMOL's usage of color spaces.
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! Tutorial
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| [[Plugins Tutorial]] updated for PyQt5
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[CGOCylinder]]&mdash; information on CGO cylinders and circles in PyMOL.
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! New Plugin
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| [[PICv|PICv]] is a new plugin for clustering protein-protein interactions and visualization with available data from PDBe
 
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| style="padding: 2px 5px 0px 15px;"| &diams; '''[http://www.pymol.org/ PyMOL] 1.2 is out!
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! Selection keywords
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| New [[Selection Algebra|polymer.protein and polymer.nucleic]] selection keywords. Thanks everyone who participated in the [https://goo.gl/forms/r0Ck03VTytZQxN4A2 poll]!
 
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| style="padding: 2px 5px 0px 15px;"| &diams; Check out the artist who integrates PyMOL into [http://winkleman.com/artist/seriesview/1406/376 his work].
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! Plugin Update
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| [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels|MOLE 2.5]] is an updated version of channel analysis software in PyMOL
 
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| style="padding: 2px 5px 0px 15px;"| &diams; If you use the sequence viewer alot, or have lots of openGL text on the screen, try boosting your performance with [[Texture_fonts]].
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! New Script
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| [[dssr_block]] is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
 
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| style="padding: 2px 5px 0px 15px;"| &diams; '''PyMOL now integrates seamlessly with MS Powerpoint.  See [[Axpymol]].'''
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! Older News
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| See [[Older_News|Older News]].
 
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|valign="middle" width="150px" style="padding: 0 20px 20px 0" |[[Image:SuperSymExample2.png|135px]] Example image from [[SuperSym]], showing cell, symmetry mates and symmetry axes.
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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" |Did you know...
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Save2traj]] &mdash; plugin for saving objects to a dcd trajectory file!
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Autodock_Plugin]] &mdash; New PyMOL plugin for interacting with AutoDock (including AutoDock Vina) and visualizing results.
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Spectrumbar]] &mdash; powerful new script for making custom spectrum bars in PyMOL.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[CollapseSel]] &mdash; simple script to compress selection lists: eg. instead of i. 1+2+3+4+5 you get 1-5.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[CgoCircle]] &mdash; draw CGO circles in PyMOL; surround objects or selections with circles.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[MovieSchool]] &mdash; PyMOL Wiki's Movie School.  Learn how to make movies in PyMOL!
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[alphaToAll]] &mdash; Expands your desired alpha-carbon property down to all atoms in the residue.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[interfaceResidues]] &mdash; Finds interface residues in a complex.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[FindSurfaceResidues]] &mdash; Find and show (if you want) surface exposed resiues in PyMOL.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[ToGroup]] &mdash; Converts a multistate object into a group of single state objects.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[FindSeq]] &mdash; Find sequence or regular expression of amino acids in a protein.
 
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| style="padding: 2px 5px 10px 15px;"| &diams; [[Modevectors]] &mdash; creates arrow plots for normal mode analysis (NMA), NMR ensembles and other cases where you want to point out differences between similar objects.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Pucker]] &mdash; finds the sugar pucker information (phase, amplitude, pucker) for a given selection.
 
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|valign="middle" width="150px" style="padding: 0 20px 20px 0" |[[Image:Sb_default.png|165px]] Example image from the new script, [[Spectrumbar]].
 
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! style="font-weight: bold; font-size: 110%; text-decoration: underline; color: #000; padding: 12px; text-align: left;" | Wiki
 
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| style="padding: 2px 5px 0px 15px;"| &diams; Added the new [[GoogleSearch]] widget for better searching on the wiki.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; [[Label]]s page was thoroughly refurbished.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; The Wiki experienced a few moments of downtime due to system maintenance.  The downtime was <10 minutes.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; '''Please note the "Go" and "Search" buttons in the search bar.  They're not the same, and entering text and hitting ENTER is the same as using the "Go" button.'''  Please try using the "Search" button; we're using a new search engine and it has cool new features.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; Documented a few more settings.  Also, check out the cool, [[Huge_surfaces]] page for handling very large objects and representing them as surfaces, in PyMOL.
 
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| style="padding: 2px 5px 0px 15px;"| &diams; We got our '''2,000,000th''' page view!
 
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|valign="bottom" width="150px" style="padding: 0 20px 20px 0; clear:right;" |[[Image:Science090410.jpg|125px]] Sample Cover from the [[Covers]] gallery.
 
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Latest revision as of 12:54, 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...

Dehydron

Type PyMOL Plugin
Download plugins/dehydron.py
Author(s) Osvaldo Martin
License MIT
This code has been put under version control in the project Pymol-script-repo

Introduction

A dehydron is a protein backbone hydrogen bond incompletely shielded from water attack. A desolvated hydrogen bond is energetically more favourable than one exposed to the solvent and hence dehydrons are sticky , since they promote the removal of surrounding water through protein associations or ligand binding.

Dehydrons are less conserved than other structural motifs, hence identification of dehydrons could help to increase specificity during the rational drug design process. Certain proteins are enriched in dehydrons such as membrane proteins, toxic proteins and proteins that have a strong tendency to aggregate. Dehydrons have been invoked to explain biological processes above the molecular level such as the dosage imbalance effect in duplicated genes and the high connectivity of the protein interactomes of higher organisms.

A putative dehydron can be detected by ..→

A Random PyMOL-generated Cover. See Covers.


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