On 14. 05. 13 00:23, Robert Hanson wrote:
This version does the energy sorting so that HOMO and LUMO work properly
http://chemapps.stolaf.edu/jmol/Jmol-13.zip
To NOT sort by energy, add FILTER "NOSORT" to the load command.
You can also select by symmetry using FILTER "SYM=AU" for example.
Fantastic, Bob !!
Max :-)
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
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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AlienVault Unified Security Management (USM) platform delivers complete
security visibility with the essential security capabilities. Easily and
efficiently configure, manage, and operate all of your security controls
from a single console and one unified framework. Download a free trial.
http://p.sf.net/sfu/alienvault_d2d
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