Many thanks, Bob!
Bye!
Pierluigi
Il 08/04/2017 03:54, Robert Hanson ha scritto:
https://sourceforge.net/projects/jmol/files/Jmol/Version%2014.12/Jmol%2014.12.1/
Jmol.___JmolVersion="14.12.1"
bug fix: NBO update
bug fix: JavaScript bug - missing Math.signum(f) - causes
{atom}.chirality to not work in JSmol
JmolVersion="14.12.0" // 2017-04-06
new feature: {atom}.chirality
-- also SELECT chirality = 'R' # or SELECT chirality != ""
-- uses Cahn-Ingold-Prelog rules to assign R or S to a carbon center
-- ignores sulfur chirality
-- may not fully implement high symmetry cases
-- not fully tested
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
<http://www.stolaf.edu/people/hansonr>
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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