VMD-L Mailing List
From: Daniel Barsky (barsky_at_llnl.gov)
Date: Wed Aug 31 2005 - 12:57:32 CDT
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Hey you vmd scripting wizards, forgive me if this has been asked (and
answered) before. I looked through the archive and saw your script for
counting hydrogen bonds ("hbonds time series"), but I have something even
easier (I think) that I'd like to do: count atoms/residues/etc that qualify
for a given selection. For example, if I ask for say "resname SOD within 7
of nucleic" the script would return a number. This could then be started in
tandem with "selection_update". When you "play" the trajectory, you'd then
get a selection time series.
Thanks in advance for your help.
Daniel
Daniel Barsky, Ph.D.
University of California/
Lawrence Livermore National Lab
7000 East Avenue, L-448
Livermore, CA 94550
Phone: 925-422-1540 Fax: 925-424-6605
Secretary: 925-424-2422 (8 to 5 Pacific Time)
Email: barsky_at_LLNL.GOV
WWW: http://compbio.llnl.gov/barsky
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- Reply: Jérôme Hénin: "Re: counting selected atoms---selection time series"
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