On 15:51 Sun 12 Jul , Warren DeLano wrote: > Donnie, > > Please try: > > > load $TUT/1hpv.pdb > > extract chA, chain A > > extract chB, chain B > > # assign some B values onto chA > > from random import random > > alter chA////CA, b=random() > > # show for later comparison... > > iterate chA///1-10/CA, chain,resi,b > > # generate an alignment > > align chA////CA, chB////CA, object=aln > > # 'refresh' forces 'aln' to become available as a selection > # before the next command... > > refresh > > # now we use a Python list, iterate, and alter to copy the > # b factors using the alignment object 'aln' > > stored.b = [] > > iterate chA and aln, stored.b.append(b) > > stored.b.reverse() > > alter chB and aln, b = stored.b.pop()
Warren, A-ma-zing. Worked perfectly! Thanks so much for your help. The only real modification I made was changing 'b = stored.b.pop()' to a '-=' or '/=' because I want to compare the two B's. For the curious, what I'm doing is mapping conservation scores into the B-factor field using ConSurf, then comparing two homologs to look at gain-of-function and loss-of-function overlaid as color on a single structure. Bright red or blue indicate the most interesting differences. -- Thanks, Donnie Donnie Berkholz P. Andrew Karplus lab Oregon State University ------------------------------------------------------------------------------ Enter the BlackBerry Developer Challenge This is your chance to win up to $100,000 in prizes! For a limited time, vendors submitting new applications to BlackBerry App World(TM) will have the opportunity to enter the BlackBerry Developer Challenge. See full prize details at: http://p.sf.net/sfu/Challenge _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net