Jan Labanowski, 1997

The xyz2bs.pl Perl script converts molecular structure files
in XYZ format (used by XMol and many other programs) to a format
required by xbs program. It is used as:
   xyz2bs.pl myfile.xyz
where myfile.xyz contains data in the XYZ format. As a result
the script produces a file myfile.bs which contains the
molecular description required for xbs program. It may also
produce the myfile.mv file in case when myfile.xyz contains
the multiple frames for animations. In these case the .mv
file contains frames 2 until last.

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The xyz2bs.c is a program in C language which should do
exactly the same thing as xyz2bs.pl. Mostly written for
educational purposes. You can compile it with
     cc -o xyz2bs xyz2bs.c -lm

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ch3oh1.xyz -- an example of XYZ file with several frames
              representing vibrations

ch3oh1.bs  -- first frame for xbs program

ch3oh1.mv  -- frame2 till last for xbs program


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Please contribute more utilities to

Jan Labanowski
jkl@ccl.net