Uploading now a slight modification of this idea:
# new feature: multipleBondSpacing
# set multipleBondSpacing = -1 (default, varies with viewing angle)
# set multipleBondSpacing = -0.5 (half that distance; varies with viewing
angle)
# set multipleBondSpacing = 0.35 (positive ==> fixed multiple bond
spacing)
On Fri, Sep 10, 2010 at 12:22 AM, Robert Hanson <hans...@stolaf.edu> wrote:
>
>
> 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
>
>
--
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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