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[sdpd] Putting a molecule on a symmetry axis in Espoir
Hi sdpd mailing list,
There is a student here who wants to know how to put a molecule on a
symmetry axis in ESPOIR. The isolated molecule has the same symmetry as the
molecule in the crystal (2-fold). It has many atoms and she would really
like to treat it as a rigid group, but keep it on the axis - allowing it to
move up and down the axis and also rotate. Is this possible in Espoir?
- Kurt
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Kurt Leinenweber
Department of Chemistry
Arizona State University
Tempe, AZ 85287-1604
Phone: (480)-965-8853
Fax: (480)-965-2747
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