VMD-L Mailing List
From: Hailin Huang (hailin.huang_at_my.liu.edu)
Date: Mon Mar 31 2014 - 02:07:44 CDT
The script suggested by Julian works perfectly.
Thanks for all your helps!
---------- Forwarded message ----------
From: Research Jubilant <research.jubilant_at_gmail.com>
Date: Fri, Mar 28, 2014 at 5:59 PM
Subject: Re: vmd-l: Align specific residues of two structures
To: Hailin Huang <hailin.huang_at_my.liu.edu>
It is possible using their CA atoms as they both have 61 atoms.
set all [atomselect 0 all]
set sel1 [atomselect 0 "resid 20 to 80 and name CA"]
set sel2 [atomselect 1 "resid 100 to 160 and name CA"]
$all move [measure fit $sel1 $sel2]
This moves molid 0 on to molid 1
On Fri, Mar 28, 2014 at 3:37 PM, Hailin Huang <hailin.huang_at_my.liu.edu>wrote:
> Dear Users,
> Is there a way I can align two protein structures at specific residues
> that are numbered differently? For example, how do I align residues 20-80
> in structure A with residues 100-160 in structure B?
> Hailin Huang