> Agreed. The need for 3D display applet is still very high...
> On thursday I had two people over about crystal structure display. There
> were basically two things missing:
>
> 1. building crystals using symmetry operations (space groups)
>     I've already discussed this with Fabian in the past and I plan to at
> least implement this in v7 partially.
> 2. Display over isosurfaces, which they need for energy band plotting
>     I think.
>
> The latter would be great to have implemented.

Do we know anybody who understands the mathematics behind these isosurfaces?

One thing that concerns me about the 3D graphics is that my math may not
be strong enough.

For spheres & lines, calculating the 3D projection onto a 2D display is
straightforward. A sphere always maps to a circle and the zdepth is easy
to calculate, regardless of the orientation.

Bonds are more difficult since they are cylinders.
Yesterday I spent 8 hours with a professor of Mathematics at the
University of Salamanca. He worked through the equations of the ellipsoid
projection of a cylinder onto a 2D plane. Plus derivatives.

I think I can handle the bonds (cylinders).

But we probably will need to find somebody who has a good understanding of
these isosurfaces.


Miguel





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