From: Robert H. <ha...@st...> - 2009-04-21 06:54:16
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OK! I've had some fun with "advanced programming" of Jmol. See http://chemapps.stolaf.edu/klotho/?q=D-allose At least for this limited set of compounds, this code does a pretty reasonable job of finding the DL-determining carbon and orienting the model in relation to it. Lesson: If you ever want to orient a model in a certain way, consider using a quaternion. Bob -- 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 |