VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Sat Feb 23 2008 - 17:17:38 CST

On Sat, 23 Feb 2008, Anthony Samiotakis wrote:

AS> Hi,
AS>
AS> Do you know if there is any tcl script that we can run with VMD to write the Rama plot
AS> to a text file that has all the values of phi - psi angles?

anthony,

you can query the phi/psi values from atom from VMD selections.
a short script of 10-20 lines in tcl or python should allow
you to write this to a file. please see explanations in the
user's guide and the many discussions here in the mailing list
archives for how to write this kind of script.

cheers,
   axel.

AS>
AS> Thank you very much.
AS>
AS>
AS>
AS>
AS>
AS> ____________________________________________________________________________________
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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.