[Chimera-users] matching peptides with altenate locations
meng at cgl.ucsf.edu
Tue Dec 15 11:22:53 PST 2009
OK, I have 1akj as model 0 and 2gtz as model 1. The second command
you gave will work if you remove the spaces before and after "|":
match #0:1-5.c at ca #1:1-3.c at ca|#1:4-5.c at ca.a
The space is used to separate the two sets of atoms. The first
command you gave wouldn't work because only some of the residues in #1
have alternate locations.
If you want to use all nine residues, here is one possibility:
match #0:1-9.c at ca #1:1-9.c at ca&~@.b
meaning ...and not alternate location B. If there were more alternate
locations (C,D,...) you would also need to exclude those. I hope this
Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Dec 14, 2009, at 11:23 AM, Sumitro Harjanto wrote:
> I would like to match two peptides; one with alternate conformations
> in residue 4 and 5. I have tried:
> match #0:1-9.c at ca #1:1-9.c at ca.a
> match #0:1-5.c at ca #1:1-3.c at ca | #1:4-5.c at ca.a
> but both don’t work and give me the “unequal number of atom chosen”
> error message.
> I tried changing match to sel in the latter case and I can get 10
> atoms; 5 from each model, which is what I intended.
> How should I deal with this?
More information about the Chimera-users