Main Page

From PyMOLWiki
Revision as of 10:52, 26 January 2016 by Speleo3 (talk | contribs) (dssr_block)
Jump to navigation Jump to search
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) Getting Help
News & Updates
New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
Official Release PyMOL v1.8.0 has been released on Nov 18, 2015.
PyMOL Open-Source Fellowship Schrödinger is now accepting applications for the PyMOL Open-Source Fellowship program! Details on http://pymol.org/fellowship
Official Release PyMOL, AxPyMOL, and JyMOL v1.7.6 have all been released on May 4, 2015.
New Plugin PyANM is a new plugin for easier Anisotropic Network Model (ANM) building and visualising in PyMOL.
New Plugin Bondpack is 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.
Older News See Older News.
Did you know...

Average b

=average_b.py=
  • calculate the average B-factor of a selection.

usage

  • copy code to text file and save as average_b.py
  • type "run average_b.py" in PyMOL
  • then type "average_b (selection)"

author

Gregor Hagelueken

code

from pymol import cmd,stored
def average_b(selection):
	stored.tempfactor = 0
	stored.atomnumber = 0
	cmd.iterate(selection, "stored.tempfactor = stored.tempfactor + b")
	cmd.iterate(selection, "stored.atomnumber = stored.atomnumber + 1")
	print("Your selection: %s" % selection)
	print("sum of B factors: %s" % stored.tempfactor)
	print("number of atoms: %s" % stored.atomnumber)
	averagetempfactor = stored.tempfactor / stored.atomnumber
	print("average B of '%s': %s" % (selection, averagetempfactor))
cmd.extend("average_b", average_b)
A Random PyMOL-generated Cover. See Covers.