feature request.
On Tue, Sep 22, 2009 at 3:38 PM, <[email protected]> wrote:
> On Tue, September 22, 2009 3:30 pm, Robert Hanson wrote:
> > multiple bonds -- I guess this depends upon your definition of "ideally."
> > Others feel that "ideally" the bonds should rotate so that there is never
> > a
> > question as to their order. In addition, this introduces the ambiguity in
> > cases such as H2SO4 where no reference plane exists. Definitely not easy.
>
> I think it'd make a good configuration option though. The CCDC's Mercury
> program uses the fixed-in-space orientation for the bond's components so
> if you need a model for setting it up I'd follow theirs just to be
> consistent.
>
> Rich
>
>
>
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--
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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