[Chimera-users] Aligning two residues same name
Eric Pettersen
pett at cgl.ucsf.edu
Mon Feb 4 11:03:26 PST 2008
Hi Francesco,
You can specify a residue by it's sequence number and chain ID
rather than it's name. So if your single-residue molecule is open as
model 0 and your snapshot structure in model 1, and you wanted to
match the single residue with residue 31 in chain A of model 1, this
would do it:
match #0 #1:31.a
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu
On Feb 4, 2008, at 6:59 AM, Francesco Pietra wrote:
> Task: compare/align a single-residue molecule before docking (naked
> molecule,
> mol2 or pdb file) with same residue as ligand in a protein after
> docking/MD
> (pdb file of a snapshot for complex embedded in a bilayer
> membrane). Should I
> change the residue name in one of the two models? Same name poses
> to me
> problems. Or there is a direct way?
> Thanks
> francesco pietra
>
>
>
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