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Revision as of 20:36, 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...

protect protects a set of atoms from tranformations performed using the editing features. This is most useful when you are modifying an internal portion of a chain or cycle and do not wish to affect the rest of the molecule.

USAGE

protect (selection)

PYMOL API

cmd.protect(string selection)

Example

This example makes a very cool little, and fake, molecular movie. Copy/paste this into PyMOL: <source lang="python"> load $PYMOL_PATH/test/dat/pept.pdb, obj

  1. create the fake trajectory (of states)

for a in range(2,31): cmd.create("obj","obj",1,a)

  1. remove the bond

unbond 5/C, 6/N

  1. This protects everything but all atoms witing 4
  2. Ang. of residue 5's carbon and residue 6's nitrogen.

protect not ((5/C or 6/N) extend 4)

  1. do some quick sculpting

sculpt_activate obj, 30 sculpt_iterate obj, 30, 100 smooth obj, 30, 3

  1. then program a bond-break/re-form movie

mset 1 x30 1 -30 30 x30 30 -1 mdo 45: unbond 5/C, 6/N, quiet=1 mdo 100: bond 5/C, 6/N, quiet=1

frame 100

as sticks orient ..→

A Random PyMOL-generated Cover. See Covers.