Re: [PyMOL] how to get RMSD from CEalign command

2009-10-31 Thread Jason Vertrees
Thomas, The command cmd.do(".../cealign.py") runs cealign.py, which runs cmd.extend. So you should have the cealign command in your namespace after the cmd.do. Have you tried running cmd.do("your/path/to/cealign") cealign(protA, protB)? I just tried this on my system and it worked for me. Let

Re: [PyMOL] how to get RMSD from CEalign command

2009-10-31 Thread Thomas Evangelidis
> Thomas, > > The PyMOL UI runs asynchronously. I think you are deleting your PDB > files before they can be aligned. I made a couple changes in your > script. Instead of calling cmd.do just call cealign directly. See > below, > > query_template_chains = { > "1ebh" : ["1ebg", "1els", "1one", "2on

[PyMOL] superposition

2009-10-31 Thread Ivan Campeotto
Dear Pymol users, I have to compare 20 different structures of the same protein, all with the same origin. The protein is a homotetramer and I am interested in comparing the catalytic pocket of each monomer inside a single structure and across the 20 structures. Also I would like to compare not