Re: [Jmol-users] bond order

[<rg...@el...>]

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