Difference between revisions of "Main Page"

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== PyMol Wiki Home ==
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__NOTOC__
You have reached the (new) home of the PyMolWiki, a user-driven web-oriented CMS.
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{| align="center" width="100%" style="background: #B22222; margin-bottom: 4em; border-bottom: 1px solid #B22222; border-left: 1px solid #B22222; border-right: 1px solid #B22222;"
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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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|}
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{| align="center" style="padding-bottom: 3em;"
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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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| The community-run support site for the [http://pymol.org PyMOL] molecular viewer.
 +
|- style="text-align:center; font-weight:normal; color: #000000; font-size: 120%; font-family: sans-serif;"
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| To request a new account, email SBGrid at:  accounts (@) sbgrid dot org
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|- style="text-align:center; font-weight:bold; color: #000000; font-size: 120%; font-family: sans-serif;"
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|}
  
=== Helping ===
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{| 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;"
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
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|+ 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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|-
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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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|-
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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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|-
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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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||'''[[CheatSheet|PyMOL Cheat Sheet]]''' (''[[Media:PymolRef.pdf|PDF]]'')
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||'''[[PyMOL_mailing_list|Getting Help]]'''
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|}
  
* Wiki schema/design/organization: Below you'll find the current layout design
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{| width="100%"
* Graphic design and CSS layout: We need logos, BG images and CSS layout
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| 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
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{| class="jtable" style="float: left; width: 90%;"
* Smoothing out the edges: Editors are needed just to fix our typos!
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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
* Etc...
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|-
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! Official Release
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| [https://pymol.org PyMOL v2.4 has been released] on May 20, 2020.
 +
|-
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! Python 3
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| New [[2to3|Python 3 compatibility guide]] for scripts and plugins
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|-
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! Official Release
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| [https://pymol.org PyMOL v2.3 has been released] on February 11, 2019.
 +
|-
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! POSF
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| [https://pymol.org/fellowship New PyMOL fellows announced for 2018-2019]
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|-
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! Tutorial
 +
| [[Plugins Tutorial]] updated for PyQt5
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|-
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! New Plugin
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| [[ProBiS_H2O|ProBiS H2O]] is a new plugin for identification of conserved waters in protein structures.
 +
|-
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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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! 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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! 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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|-
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! Older News
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| See [[Older_News|Older News]].
 +
|}
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|style="vertical-align: top; width: 40%"|
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{| class="jtable" style="float: right; width: 90%"
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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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|-
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|<div class="didyouknow" >
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<DynamicPageList>
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randomcount=1
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category=Commands|Plugins|Script_Library|Settings
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includepage=*
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includemaxlength=1050
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escapelinks=false
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allowcachedresults=false
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resultsheader=__NOTOC__ __NOEDITSECTION__
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listseparators=,<h3>[[%PAGE%]]</h3>,,\n
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</DynamicPageList>
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</div>
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<div style="clear: both;"></div>
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|}
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|style="vertical-align: top; width: 18%"|
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<DynamicPageList>
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imagecontainer=Covers
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randomcount=1
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escapelinks=false
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openreferences=true
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listseparators=[[,%PAGE%,|thumb|185px|A Random PyMOL-generated Cover. See [[Covers]].]],\n
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ordermethod=none
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allowcachedresults=false
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</DynamicPageList>
  
=== Editors Needed ===
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|}
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 04:38, 20 May 2020

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 v2.4 has been released on May 20, 2020.
Python 3 New Python 3 compatibility guide for scripts and plugins
Official Release PyMOL v2.3 has been released on February 11, 2019.
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures.
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...

Displacementmap

Type Python Script
Download displacementmap.py
Author(s) Troels E. Linnet
License BSD
This code has been put under version control in the project Pymol-script-repo

Overview

DisplacementMap is made for easy investigations of suitable positions for site-directed mutagenesis of amino residues into cysteines and FRET/EPR pair labelling.

A Open and Closed form of a protein should be loaded. New objects should be created for the selected asymmetric unit. Parts of the protein should be aligned, leaving the flexible part in two different positions.

The input is the objects, Open (molecule1) and Closed (molecule2).
Further is the criteria for selecting which atom the distance should be calculated between. Standard is atom='CA' (atom).
Then one selects the Förster distance R0 (mindist). This is the minimum distance between the residues. This depends of the selection of the FRET pair and protein at hand. But usually in the range 40 - 80 Angstrom is suitable.
Then one defines the minimum displacement that is accepted. Usually R0/2 ..→

A Random PyMOL-generated Cover. See Covers.