[PyMOL] Sessions and Scope

2009-10-02 Thread Tsjerk Wassenaar
Hi, At present I'm setting some variables in the globals() dictionary/global scope, but when I save the session, these variables are lost. What would be the best way to preserve them? (This question may also be interpreted as: what does Pymol write to a session file?). Cheers, Tsjerk -- Tsjerk

Re: [PyMOL] rmsd for multiple snaphosts

2009-10-02 Thread Warren DeLano
>Dear all, > >i have multiple conformations files (multi pdb) and would like to >compute for each one, the rmsd for each snapshot against the first >snapshot. >Is it possible with pymol to do such a task ? > >thank you in advance for the gain of time ... :-) > >nicolas floquet Yes, using a short P

Re: [PyMOL] Sessions and Scope

2009-10-02 Thread Warren DeLano
Tsjerk, Great question with a crummy answer: you can't! But this seems like a really good idea, at least for primitives stored in ordinary built-in Python containers. Saving class instances would be problematic, since session files wouldn't necessarily be restorable in the absence of accompanyi