Possibly. Is that documented or discussed somewhere in the literature?
I could probably implement that tonight while watching the election returns
then let you try it out. I propose:
calculate hbonds {atomset1} {atomset2}
maybe with some settings for minimum and maximum distances.
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
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