definitely a bug -- fixed now. I'll get that posted shortly.
On Mon, Apr 12, 2010 at 1:55 PM, Otis Rothenberger <[email protected]>wrote:
> Bob,
>
> I'm seeing a problem in Jmol 12.0.RC5_dev that I did not see lesser
> versions:
>
> By way of example with ethane loaded,
>
> select atomIndex = 5;{atomIndex = 5}.element = 'C';select hydrogen and
> connected({atomIndex = 5});delete selected;calculate hydrogens {*}
>
> followed by a subsequent atomInfo check:
> alert(jmolGetPropertyAsString("moleculeInfo[1]", "all", "01"))
>
> shows correctly adjusted atomInfo.
>
> If, however, the substituted atom is univalent ( e.g. Cl vs C above),
> then the atomInfo formula remains unchanged - i.e. the ethane formula in
> the above example.
>
> Bug?
>
> Otis
>
> --
> Otis Rothenberger
> chemagic.com
>
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
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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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