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From: Oliver Schillinger (o.rusche_at_fz-juelich.de)
Date: Mon Sep 02 2013 - 10:17:06 CDT
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Hi,
I have a TCL script that loads two molecules and manipulates their
coordinates.
Now I would like to write all atoms from one molID together with one
residue from the other molID to a PDB file using psfgen's writepdb function.
My first idea was to use atomselect, but that works only with one mol ID.
Of course I could write two files and combine them afterwards, but that
is the ugly solution.
My programming and scripting skills are beyond the amateur level in
general, but I am fairly new to TCL. It does not seem that it will
become my favourite scripting language anytime soon.
I would appreciate any suggestions.
Cheers,
Oliver
-- Oliver Schillinger Master's student Forschungszentrum Juelich GmbH 52425 Juelich | Germany Building 5.8v, Room 3010 Phone: 02461-61-9532 Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498 Vorsitzender des Aufsichtsrats: MinDir Dr. Karl Eugen Huthmacher Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender), Karsten Beneke (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt, Prof. Dr. Sebastian M. Schmidt
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