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News & Updates
Official Release PyMOL v2.4 has been released on May 20, 2020.
Python 3 New Python 3 compatibility guide for scripts and plugins
Official Release PyMOL v2.3 has been released on February 11, 2019.
POSF New PyMOL fellows announced for 2018-2019
Tutorial Plugins Tutorial updated for PyQt5
New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures.
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...

Grepsel

Create selections matching motifs, using python regular expression syntax.

This is very similar to the FindSeq script.

The Code

<source lang="python">

  1. Create named selections using regular expressions for the protein sequence

import pymol import re cmd = pymol.cmd

aa = { 'ASP' : 'D' , 'GLU' : 'E' , 'GLN' : 'Q' , 'ASN' : 'N' , 'SER' : 'S' ,

      'THR' : 'T' , 'CYS' : 'C' , 'HIS' : 'H' , 'ARG' : 'R' , 'LYS' : 'K' ,
      'MET' : 'M' , 'ALA' : 'A' , 'ILE' : 'I' , 'LEU' : 'L' , 'VAL' : 'V' ,
      'GLY' : 'G' , 'PRO' : 'P' , 'TRP' : 'W' , 'PHE' : 'F' , 'TYR' : 'Y' ,
      'SCY' : 'U' , 'ASX' : 'B' , 'GLX' : 'Z' , 'XXX' : 'X'}
  1. made this before the sequence view option, probably another way to do it now

def seqoneint(model):

  pymol.stored.seq = []
  cmd.iterate("%s and name ca"%model,"stored.seq.append(resn)")
  seq = ""
  for x in pymol.stored.seq:
     if aa.has_key(x):
        res = aa[x]
        seq = seq+res
     else:
        seq = seq + '-'
  return seq


def grepsel(selection="(all)",stretch="",pr ..→

A Random PyMOL-generated Cover. See Covers.