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Official Release PyMOL v1.8.4 has been released on October 4, 2016.
New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
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Did you know...

AutoMultiFit

= OVERVIEW =

AutoMultiFit will fit all given chain(s) in all given state(s) to any other given chain(s) in any other given state(s) for some given selection within a homo-oligomer. So, if you have an MD trajectory or NMR ensemble of a tertramer, for example, over 20 states this program could calculate the RMS values for residues 10-30 in chain A's state 17, against all of chain C. Or all states in all chains against each other.

See the notes in the code for usage.

The Code

<source lang="python">

  1. autoMultiFit.py -- Given a homo-oligomer in N-states, fit any combination of chains across states
  2. AUTHOR: Jason Vertrees
  3. DATE  : 2009-11-02

import pymol from pymol import cmd

def autoMultiFit(sel, fromChain="*", fromState="*", toChain="*", toState="*", verbose=None):

   """
   FUNCTION
     Given a homo-oligomer in N-states (say from MD), fit any
     combination of chains/selections across states. See Usage, Examples and Notes.
   USAGE
     autoMultiFit sel,  ..→
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