Re: [PyMOL] Iterating through states of a topology object (trajectories) and writing out a distance

2014-07-17 Thread Andreas Warnecke
Hej Sajeewa, it is hard to test this without the data, however, I think what you may be looking for is defining the "state". Either you can set it in your script using cmd.set('state', x) or define it in the get_distance function. Since you use state=0, it will always use the object's current one.

[PyMOL] Iterating through states of a topology object (trajectories) and writing out a distance

2014-07-17 Thread Sajeewa Pemasinghe
Hi all, I have loaded a topology file by the name of "topo" into pymol and loaded the trajectory file on top of it. Now pymol says "amn1136_xd1.trj" appended into object "topo". CmdLoadTraj: 250 total states in the object. I want go through these states and write the distance between two atoms t

[PyMOL] how to get a correct pdb output for atom names ?

2014-07-17 Thread Pascal Auffinger
Dear Thomas, Sorry for this posting, you are correct. There is no problem with pymol but rather with one of my scripts that process the files afterwards. Anyway, your reply helped me to correct my scripts. Thanks for that, Pascal ---