that can be experimented with at
http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm?topic=11
I think this could be a new default. Let's talk about it.
On Fri, Sep 10, 2010 at 7:31 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> 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, Angstroms)
>
>
>
>
> 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
>
--
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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