[PyMOL] question about SUPER

2008-06-05 Thread Jianghai Zhu
Hi, I am using SUPER to superimpose different structures in PyMOL. And I noticed that when I try to superimpose a lot of different structures onto one reference structure, the number of aligned atoms is getting smaller and smaller as I keep using SUPER command. And eventually structures

Re: [PyMOL] question about SUPER

2008-06-05 Thread DeLano Scientific
Jianghai, That sounds like a bug, but it could be something specific about your script. Could you post (or email us) an example PyMOL script which reproduces the reported behavior? Thanks! Warren -- DeLano Scientific LLC Subscriber Support Services mailto:supp...@delsci.com -Original Mess

[PyMOL] RMSD Calculations

2008-06-05 Thread siddharth
Hi everyone, I needed to know how to calculate the RMSD for 2 homologous structures over the entire structure (For C-alpha atoms). Currently, PyMol performs sequence alignment and then gives the RMSD values for only those regions which are matching. But, as I mentioned before, I need RMSD values f