Re: [PyMOL] Iterate Script Over States

2009-09-29 Thread Warren DeLano
) print len(my_dict['L']) etc. Cheers, Warren > -Original Message- > From: Tsjerk Wassenaar [mailto:tsje...@gmail.com] > Sent: Tuesday, September 29, 2009 7:40 AM > To: Warren DeLano > Subject: Re: [PyMOL] Iterate Script Over States > > Hi Warre

Re: [PyMOL] Iterate Script Over States

2009-09-28 Thread Warren DeLano
@lists.sourceforge.net Subject: Re: [PyMOL] Iterate Script Over States 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

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 a

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 From