[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 pucker.

Re: [PyMOL] Stereo flipping in coot and pymol

2009-09-28 Thread Dirk Kostrewa
Dear Joachim, you don't say whether its Linux, Windows or Mac OS X and which emitter and glasses you are using. I've seen this behaviour long time ago with very old Nvidia graphics card drivers under Linux. Sometimes, I still see this behaviour with new drivers but with old computer hardwar

Re: [PyMOL] [ccp4bb] Stereo flipping in coot and pymol

2009-09-28 Thread Joachim Reichelt
I said, we are on Linux. But I did not say: We are using Stereographic glases  and emiter connected by 3-wire cable to the DIN plug on NVIDIA Quadro FX 3000 NVIDIA GLX Module  173.14.17  Mon Feb 23 16:04:17 PST 2009 If of interest, this is openSUSE 11.1 on i386 Am 28.09.2009 16:21, schrieb Dir

Re: [PyMOL] [ccp4bb] Stereo flipping in coot and pymol

2009-09-28 Thread Dirk Kostrewa
Am 28.09.2009 um 16:25 schrieb Joachim Reichelt: I said, we are on Linux. Uups, yes, you are right - may fault. But you may try the new driver installation and the minizing/maximizing, anyway. Good luck, Dirk. But I did not say: We are using Stereographic glases and emiter connecte

Re: [PyMOL] Stereo flipping in coot and pymol

2009-09-28 Thread Warren DeLano
I agree with Dirk - this is likely a hardware problem. From within PyMOL ,it can be worked around via the menu Display->Stereo->Swap Sides or by typing "st sw" (stereo swap) at the command line. Cheers, Warren From: Dirk Kostrewa [mailto:kostr...@genzentr

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

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, 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: pymol-users@lists.sourc