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Dear Netters,
Thanks to Martin Schuetz from the Institute for Physical Chemistry of
the University of Berne (schuetz@iacrs2.unibe.ch) we have another
valuable addition to our library of perl scripts. The GCmodes2schakal.perl
script will extract geometry and normal modes (or whatever they call
normal modes {:-)} ) from the Gaussian90 or CADPAC4 frequency jobs and
prepare input for the popular molecular viewing program SCHAKAL88 by
Egbert Keller. The script will find by itself which output is being processed.

You can get the file via e-mail by sending a message:
   send ./perl/vibmodes/GCmodes2schakal.perl from chemistry
to OSCPOST@ccl.net or OSCPOST@OHSTPY.bitnet

or you can retrieve it from anonymous ftp www.ccl.net [128.146.36.48] in
the directory pub/chemistry/perl/vibmodes 

Martin, thank you again for your contribution

Jan
jkl@ccl.net

------------- Latest addition
There is also a GCgeom2schakal.perl script which extracts the geometry
from G90 or CADPAC output files. Get it as above.
-------------------






Modified: Fri Nov 13 17:00:00 1992 GMT
Page accessed 6047 times since Sat Apr 17 21:23:03 1999 GMT