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Revision as of 16:36, 13 March 2018 by Speleo3 (talk | contribs) (v2.1)
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News & Updates
Official Release PyMOL v2.1 has been released on March 13, 2018.
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
New Plugin LiSiCA is a new plugin for 2D and 3D ligand based virtual screening using a fast maximum clique algorithm.
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.