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Program extracts normal modes from Aces2, Gamess,
Gaussian output file. It writes separate files,
one simple cosine trajectory for particular
normal mode. Output is in Xmol XYZ format.
(Click Animate button and enjoy!)

Compiling:

cc -o xvibs xvibs.c -lm

Running:

xvibs mymolecule.out {all|1-(3*N-6)}

Example:

g90  benzene.out (or equivalent)

xvibs benzene.out all

Output files are named benzene.{1-30}

or 

xvibs benzene.out 15

for mode 15 only.

Output will be benzene.15


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Written in 1990 by Milan Hodoscek
Institute of Chemistry, Ljubljana, Slovenia
Modified for XMOL 1992 @NIH, Bethesda, MD
Bug report to: milan@helix.nih.gov
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Extensions added by Fred Brouwer, and then
by Jan Labanowski (tell me about my bugs at jkl@ccl.net).
and then the whole thing was rewritten by
Bradley A. Smith ,
Eric Patterson .

We are talking community spirit here...

Examples are provided for ACES2, GAMESS, and GAUSSIAN files.
Modified: Wed Jul 16 16:00:00 1997 GMT
Page accessed 4372 times since Sat Apr 17 22:01:11 1999 GMT