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! Official Release
! Official Release
| [[PyMOL, AxPyMOL, and JyMO v1.7 have all been released|http://pymol.org]] today, January 14, 2014.
| [[http://pymol.org|PyMOL, AxPyMOL, and JyMO v1.7 have all been released]] today, January 14, 2014.
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! New Plugin
! New Plugin

Revision as of 14:38, 14 January 2014

Welcome to the PyMOL Wiki!
The community-run support site for the PyMOL molecular viewer.
New accounts: email jason (dot) vertrees (@) gmail dot com
Quick Links
Tutorials Table of Contents Commands
Script Library Plugins FAQ
Gallery | Covers PyMOL Cheat Sheet (PDF) GoogleSearch
News & Updates
Official Release [AxPyMOL, and JyMO v1.7 have all been released] today, January 14, 2014.
New Plugin Bondpack is a a collection of PyMOL plugins for easy visualization of atomic bonds.
New Plugin MOLE 2.0 is a new plugin for rapid analysis of biomacromolecular channels in PyMOL.
3D using Geforce PyMOL can now be visualized in 3D using Nvidia GeForce video cards (series 400+) with 120Hz monitors and Nvidia 3D Vision, this was previously only possible with Quadro video cards.
New Plugin GROMACS_Plugin is a new plugin that ties together PyMOL and GROMACS.
New Software CMPyMOL is a software that interactively visualizes 2D contact maps of proteins in PyMOL.
New Script cgo_arrow draws an arrow between two picked atoms.
Tips & Tricks Instructions for generating movie PDFs using .mpg movies from PyMOL.
Older News See Older News.
Did you know...

Cluster Count

= Overview =

This script calculates statistics on the B-values for all atoms in the selected object, prints the information on screen and appends it to a file called "cluster_count.txt".


Usage

cluster_count object


Example

cluster_count 1ubq

#output on screen:

Number of atoms in ' 1ubq ':  602
Minimum and Maximum B-values:  2.0 42.75
Average B-value:  13.4131063029
Standard deviation of the B-values:  8.70767140923
This data will be appended to cluster_count.txt

#output in file cluster_count.txt; the format is:
#objectname N minB maxB aveB stdevB
1ubq            602    2.000   42.750   13.413    8.708


The Code

<source lang="python">

  1. Script: cluster_count.py
  2. Copyleft 2010 Martin Christen

from pymol import cmd,stored def cluster_count(selection):

       """
AUTHOR

Martin Christen

DESCRIPTION

This script calculates statistics on the B-values for all atoms in
the selected object, prints the information on screen and appends
it to the  ..→
A Random PyMOL-generated Cover. See Covers.