r...@ellerbach.com schrieb:
> On Tue, 16 Feb 2010 12:04:32 -0800, Thomas Stout <thomasjst...@gmail.com>
> wrote:
>> To follow up on my question from last week concerning
> "auto-orientation",
>> Rolf Huehne very graciously pointed me in the direction of a solution
> that
>> he had already crafted for JenaLib.  He uses the dimensions of the
> bounding
>> box, selected for the atoms of interest, and arrays the longest two
> vectors
>> in the plane perpendicular to the viewing axis.  This has the effect of
>> making the majority of the molecule visible to the viewer.
>>
> 
> Tom,
> 
> How do you select "the atoms of interest" absent any user input?
> 
> Rich
In our case (JenaLib/Jena3D) the atoms of interest are those atoms that 
are displayed in the static images and initially within Jena3D (Jmol). 
Not displayed are the (presumed) solvent atoms.
If this would be integrated the user input would be the current selection.

Regards,
Rolf

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