[PyMOL] Iterate Script Over States

2009-09-28 Thread Sean Law
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

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Re: [PyMOL] Iterate Script Over States

2009-09-28 Thread Warren DeLano
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

Re: [PyMOL] Iterate Script Over States

2009-09-28 Thread Sean Law
I think I figured it out (though, it wasn't documented). What I needed was to use: cmd.get_model(selection, STATE) I think that's the correct usage? What I needed was to loop through a selection and then to calculate the sugar pucker information. However, not all atoms from the selection

Re: [PyMOL] Iterate Script Over States

2009-09-28 Thread Warren DeLano
Sean, Yes, that is an alternate route. cmd.get_model is likely slower than cmd.iterate_state, but should work regardless. Cheers Warren From: Sean Law [mailto:magic...@hotmail.com] Sent: Monday, September 28, 2009 11:58 AM To: