Query molecular geometry
"geometry" query molecular geometry 1.0
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REQUIREMENTS: VMD Version 1.8 or greater
DESCRIPTION:
This script has some procs to do dihedral calculations in a
relatively efficient fashion (as efficient as I could make it in
Tcl, anyway) and is designed to do well when you want a bunch of
values for a given frame, rather than for a bunch of frames.
I originally wrote it for Ramaplot but it was too slow
for interactive purposes, hence the new phi/psi atom selection
keywords.
PROCEDURES:
EXAMPLE USAGE:
DOWNLOAD THE FILE:
geometry.tcl
AUTHORS:
Justin Gullingsrud