= 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">
- autoMultiFit.py -- Given a homo-oligomer in N-states, fit any combination of chains across states
- AUTHOR: Jason Vertrees
- 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, ..→
