[EMAIL PROTECTED] wrote:

>  
>
>> De: "pim schravendijk" <[EMAIL PROTECTED]>
>> Sujet: [Jmol-users] Exporting planes and (iso)surfaces to povray
>>   
>
>
> The answer is that it has not been implemented (yet ?).
> The povray export is really very basic (atoms and bonds).
>
> Some time ago, I was interested in enhancing it (traces partially 
> added), but at the time accessing the informations from Jmol core to 
> export them in Povray format wasn't easy.
> It's maybe now more easy (with the possibily to retrieve properties) 
> but I am not even sure. Bob, do we have access to enough information 
> from the getProperty() mechanism to generate a 3D view ?
>
>  
>
I don't think so. I see at 
http://www.povray.org/documentation/view/3.6.1/63/ that, for example, a 
trace should be a "sphere sweep", and that would  take digging into Jmol 
and pulling out the control points, not just a finished trace.
Isosurfaces are just sets of triangles. The order that vertices are 
listed determines which side is which for lighting purposes. We do 
expose these triangles via a public interface now, so it's entirely 
conceivable that we could "deliver" the essential information to 
something like POV-Ray in the format described by 
http://www.povray.org/documentation/view/3.6.1/67/. Actually, now that I 
see http://www.povray.org/documentation/view/3.6.1/68/, this is much 
more the Jmol model and is what one should use. Jmol has everything 
listed there -- a set of normals, a set of vertices, a set of faces -- 
all of it. In fact, the final bit there, about texture_lists, is what we 
would implement. The statement there: "By using the texture_list it is 
possible to specify a texture per triangle or even per vertex in the 
mesh. In the latter case the three textures per triangle will be 
interpolated. " is precisely what Jmol does.

To really pay off, I think we would want to do exports to POV-Ray that 
are not exact duplicates of what Jmol can do. Instead, we should use 
this as an opportunity to, for example, turn bonds into conic segments 
rather than straight cylinders. Same goes for cartoons.

The goal should not be to reproduce what Jmol does but rather produce 
what Jmol cannot.

I've been thinking that if someone wanted to do some work with POV-Ray 
and Jmol it would be a great contribution.

Bob



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