VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Aug 18 2008 - 10:42:14 CDT
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On Sun, 17 Aug 2008, Yuan Feng wrote:
YF> Hello,
YF>
YF> I am writing a tcl script to calculate secondary sturcure for a
YF> trajectory based on dssp. I use "writepdb" to generate a pdb file
YF> for every frame, and then use "exec dssp ex.pdb ex.dssp" to call the
YF> dssp program. Then I parse the dssp file to get information.
YF> However, I find it does not work if I source the tcl script,
YF> althought it works if I enter them in the tk console. Also, it only
YF> works for one frame. Does anyone know how vmd call stride (I cannot
YF> find the scripit of "ssrecalc") so I can learn from that?
tkconsole is doing some strange stuff with respect to scoping of
procedures and variables. please try using "play" instead of "source".
cheers,
axel.
-- ======================================================================= 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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