output data (*.pov). unfortunately, the orbitals look more than a polygon
than orbitals, as you can see in the attached picture...does anybody know
how to solve this problem? thanks!

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Topper nous apporta ses lumieres en ce 2005-02-14 06:44:

> output data (*.pov). unfortunately, the orbitals look more than a polygon
> than orbitals, as you can see in the attached picture...does anybody know
> how to solve this problem? thanks!
> 
> 
> ------------------------------------------------------------------------
> 
Those fscing are caused by the meshes used, to large/few triangles. Can you set the
number of steps 
or presision of the generated meshes?

Alain

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"Topper" <gho### [at] gmxnet> wrote:

> output data (*.pov). unfortunately, the orbitals look more than a polygon
> than orbitals, as you can see in the attached picture...does anybody know
> how to solve this problem? thanks!

Hi Topper,

it looks like the resolution of the mesh of Your orbitals isn't high enough
to get a smooth result. Unfortunately I'm not familiar with MOLDEN. Can You
increase the triangle in the grid to get a better result. Maybe You can use
Hyperchem, Spartan or another software to export the structure including
the orbitals with a higher resolution.

Shu.

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