Re: [Jmol-users] visualizing molecular orbitals in molden format

[Latévi M. L. D. <max...@un...>]

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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