[PyMOL] rms values for several states

2005-07-14 Thread Daniel Hasenpusch
Hi, I made Molecular Dynamics studies on a wildtype enzyme and its mutants. To compare the structures (in pymol 40 states for each enzyme) I have to find out which state of the one enzyme has the best rms to the other enzyme. Are there possibilities to solve this problem in pymol or maybe in p

[PyMOL] how to save pymol values in extra file

2005-07-19 Thread Daniel Hasenpusch
Hi, I need the rms values from pymol in an extra output file. I tried to make it the same way like in the pymol / python example for intra_rms. rms = cmd.rms (selection1, selection2) but it doesn't work. Is this command line correct, or there are other possibilities to get access to the vari

[PyMOL] multi distance object to single distance objects

2005-08-09 Thread Daniel Hasenpusch
Hi, I used the distance command: cmd.dist(" (/mol1///1/C)","(/mol1///2/C*)"). In pymol it creates a new distance object with all distances from C in Residue 1 to every C in Residue 2. How can I split this object to single distance objects? Or there are better possibilities because I want to w

[PyMOL] multi distance object to single distance objects

2005-08-09 Thread Daniel Hasenpusch
Hi, I used the distance command: cmd.dist(" (/mol1///1/C)","(/mol1///2/C*)"). In pymol it creates a new distance object with all distances from C in Residue 1 to every C in Residue 2. How can I split this object to single distance objects? Or there are better possibilities because I want to w