Laurence, one more thought on this, which I missed on first reading your message. Jmol reading of XYZ formatted files can support unit cells and space groups. This is an important feature of the LOAD command -- that you can specify spacegroup and unit cell when loading data, regardless of the file format. You might want to look into that as well. See http://chemapps.stolaf.edu/jmol/docs/#load
Bob On Thu, May 21, 2009 at 7:11 AM, Laurence Marks <l-ma...@northwestern.edu>wrote: > Let me be a bit more specific. I have implemented vibrations using an > xyz file, but since this does not contain the crystal lattice > information cell repeats have to be done ahead of time. -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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