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

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