Sean,
I'm not sure what you have in mind other than something like (python code):
for state in cmd.count_states():
cmd.iterate_state(state, selection, expression)
where expression is accumulating coordinates from multiple states
Cheers,
Warren
________________________________________
From: Sean Law [mailto:magic...@hotmail.com]
Sent: Monday, September 28, 2009 7:14 AM
To: pymol-users@lists.sourceforge.net
Subject: [PyMOL] Iterate Script Over States
Hi PyMOL Users,
I was wondering if there was a smart way of having a script iterate over all
(or some) of the states. I know that there are the usual iterate and
iterate_state commands available but it appears that it makes for clumsier
code. More specifically, I'm looking to use the pucker.py script which
calculates sugar dihedral angles (found under PUCKER at the PyMOL-Wiki) and
have it spit values back for all states of an MD simulation rather than just
only the first state. Basically, I would like for it to behave like the
distance/dihedral measurement functions available in the PyMOL wizard such that
the pucker information is calculated, displayed on the screen, and changes as I
run through each frame.
Thanks in advance!
Sean
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