On Thu, Sep 9, 2010 at 4:36 PM, Shore, Jay <jay.sh...@sdstate.edu> wrote:
>
>
>
> I wonder if it would be easier to put it in the Sticks class – would that
> make it easier for use with external renderers (e.g. povray)?
>
>
doesn't matter. The exporters use exactly the same rendering code. They just
interpret the graphics commands a bit differently.
> For triple bonds, one could try to define a plane for each molecule so all
> triple bonds were oriented the same way. A vector, orthogonal to the triple
> bond, that goes through the three cylinders representing the triple bond,
> should be parallel to the plane defined for the molecule.
>
>
Think about that.
> If the plane defined for the molecule corresponded to the plane with the
> maximum surface area (e.g., for benzene a plane perpendicular to the C6
> axis), most likely the planes of the double and triple bonds should be
> consistent.
>
>
No way is that going to be efficient. Whatever it is, it has to be VERY
simple.
Let's try just double first, just to see what you think. Then tackle triple.
version=12.1.11_dev
# new feature: lockMultipleBonds (preliminary)
set lockMultipleBonds 0.35 # set locked distance between cylinders for
multiple bonds to be 0.35 Angstroms
set lockMultipleBonds 0 # unlocks multiple bonds and lets them adjust
distance between cylinders (Jmol default)
Bob
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