From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Mar 14 2008 - 09:37:41 CDT

On Fri, 14 Mar 2008, ramya narasimhan wrote:

RN> Hi,

RN> When i view the phi-psi plot in vmd for a trajectory, it gives
RN> some residues in the disallowed region. I want to get the phi and
RN> psi angles for only those residues in disallowed region for the
RN> corresponding frame. This I got it on the graphical display by
RN> justing clicking, but i want everything to be calculated
RN> automatically. Is there any way of doing it? I saw one script in
RN> stride but it gives the secondary structure of each residue but not
RN> the angles.

well, if you look into the what the ramaplot script does, you'll
see that it queries a selection for "phi psi". so you can write
a script similar to the stride using one and so get access to
phi/psi directly and use it any way you like.

cheers,
   axel.

RN>
RN> Thanks in advance.
RN> Ramya.L.
RN>
RN>
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-- 
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Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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