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== PyMol Wiki Home ==
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__NOTOC__
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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;"
 +
|+ 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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|- 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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|}
  
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We (will) strive to provide
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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;"
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* updates on PyMol
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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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* a stable user-oriented documentation base
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|-  
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* a thorough treatment of the PyMol program
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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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* feature rich scripts for general PyMol use
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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]]'')
 +
||'''[[PyMOL_mailing_list|Getting Help]]'''
 +
|}
  
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== Links of Interest ==
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{| width="100%"
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* Updated! [[PyMolWiki:Community_Portal| How to get involved!]] -- read me if you want to add something
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| style="vertical-align: top; width: 40%" |
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* [[:Category:Scripting Script Library| Script Library]] -- add one!
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{| class="jtable" style="float: left; width: 90%;"
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* [[:Category:Commands|PyMol Commands]] (>130 documented!)
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|+ style="font-size: 1.4em; font-weight: bold; text-align:left; border-bottom: 2px solid #6678b1;" | News & Updates
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* [[:Special:Allpages| All Pages]]
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|-
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* [[:Category:Plugins|Plugins]]
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! Official Release
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* [[:Special:Categories| See All Categories]]
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| [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 fellows announced for 2018-2019]
 +
|-
 +
! 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
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| See [[Older_News|Older News]].
 +
|}
 +
|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...
 +
|-
 +
|<div class="didyouknow" >
 +
<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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|
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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
 +
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>
  
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|}
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<source lang="python">
 
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#############################################################################
 
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# $Id$
 
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#############################################################################
 
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import sys;
 
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import os;
 
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import math;
 
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import re;
 
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import getopt;
 
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from Bio.PDB.PDBParser import PDBParser
 
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import imgWriter
 
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#my imageWriter using GD
 
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#import dali.imageWriter
 
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class point:
 
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        """
 
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        point is a simple representation of a 3D point in space
 
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        """
 
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        def __init__(self, ray = [] ):
 
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                """
 
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                Constructor
 
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                """
 
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                if ( len(ray) != 3 ):
 
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                        print "ERROR: What, so macromolecules are 2-dimensional now?  I don't th
 
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ink so."
 
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                        sys.exit(2)
 
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                # assign instance variables
 
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                self.x = ray[0]
 
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                self.y = ray[1]
 
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                self.z = ray[2]
 
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                # calculate the length from origin
 
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                self.length = math.sqrt( self.x**2 + self.y**2 + self.z**2 )
 
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</source>
 
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<npython>
 
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#############################################################################
 
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# $Id$
 
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#############################################################################
 
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import sys;
 
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import os;
 
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import math;
 
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import re;
 
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import getopt;
 
−
 
 
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from Bio.PDB.PDBParser import PDBParser
 
−
 
 
−
import imgWriter
 
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#my imageWriter using GD
 
−
#import dali.imageWriter
 
−
 
 
−
 
 
−
class point:
 
−
        """
 
−
        point is a simple representation of a 3D point in space
 
−
 
 
−
        """
 
−
 
 
−
        def __init__(self, ray = [] ):
 
−
                """
 
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                Constructor
 
−
 
 
−
                """
 
−
 
 
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                if ( len(ray) != 3 ):
 
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                        print "ERROR: What, so macromolecules are 2-dimensional now?  I don't th
 
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ink so."
 
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                        sys.exit(2)
 
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                # assign instance variables
 
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                self.x = ray[0]
 
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                self.y = ray[1]
 
−
                self.z = ray[2]
 
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−
                # calculate the length from origin
 
−
                self.length = math.sqrt( self.x**2 + self.y**2 + self.z**2 )
 
−
 
 
−
</npython>
 

Latest revision as of 03:21, 22 June 2021

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 v2.5 has been released on May 10, 2021.
Python 3 New Python 3 compatibility guide for scripts and plugins
POSF New PyMOL fellows announced for 2018-2019
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...

Centerofmass

The centerofmass command calculates the center of mass for an atom selection. It considers atom mass and occupancy.

New in PyMOL 1.7.2. See the center_of_mass script for older PyMOL versions.

Usage

centerofmass [ selection [, state ]]

Arguments

  • selection = str: atom selection {default: all}
  • state = int: object state, -1 for current state, 0 for all states {default: -1}

Example

PyMOL> fetch 1ubq, async=0
PyMOL> centerofmass
 Center of Mass: [  30.004,  28.522,  14.701]

Python API

cmd.centerofmass() returns a list of 3 floats.

See Also
A Random PyMOL-generated Cover. See Covers.


Retrieved from "http://wiki.pymol.org/index.php?title=Main_Page&oldid=14896"