Re: [PyMOL] Work with pdb's enssemble

2011-11-22 Thread Thomas Holder
Hi James, paste the following piece of code into the PyMOL command line. It does more or less the same as "A > align > all to this" but with "super" instead of "align". names = cmd.get_object_list() for name in names[1:]: cmd.super(name, names[0], object='aln') The first object in the list wil

Re: [PyMOL] Work with pdb's enssemble

2011-11-22 Thread James Starlight
By the way also I've tried use super_all script wich can do multiple alignment via Super command pldserver1.biochem.queensu.ca/~rlc/work/*pymol*/*super_all*.py but as the consequense the resulted sequence alignment in CGO in pair-wise manner. How could I make something like this super all but for

Re: [PyMOL] Work with pdb's enssemble

2011-11-21 Thread James Starlight
Jason, but as I've understood super did alignment only for two structures, Is there any way to do the same operation for ensemble ? (for CE as I understood this could be done by alignto command but it lack for seq alignment iin this case) James 2011/11/21 Jason Vertrees > Hi James, > > > set

Re: [PyMOL] Work with pdb's enssemble

2011-11-01 Thread Jason Vertrees
Hi James, PyMOL can do what you want, but you need to monitor the scientific validity at each step. First load all your proteins into PyMOL. If that must happen in one command, please see LoadDir (http://pymolwiki.org/index.php/LoadDir). Next, for the target protein with no insertion, let's cal

[PyMOL] Work with pdb's enssemble

2011-11-01 Thread James Starlight
Dear Pymol Users! I want to solve one methodologycal problem via Pymol. I have 20 x-ray structures of one protein presented in different conformations. The main problem is that all those structures consist of Hen Lysozyme inserted in the protein for the improvement of the crystallographic proper