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From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Mar 14 2008 - 09:37:41 CDT
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- In reply to: ramya narasimhan: "ramaplot"
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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>
RN> ---------------------------------
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-- ======================================================================= Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
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