[Paraview] Gaussian cube files

[Marcus D. Hanwell]

On Thu, Mar 15, 2012 at 11:29 AM, Roberto Di Remigio
<roberto.diremigio at gmail.com> wrote:
> Sorry for taking the discussion out of the mailing list! I hadn't noticed.
> I tried with the Resample filter and it worked.
> For future use, I summarize what I did:
> 1. open first cube file (containing the density);
> 2. plot the isodensity surface;
> 3. open second cube file (containing the electrostatic potential);
> 4. use Resample With Dataset filter. Select Gridded Data of the second cube
> file as Input and Contour of the first cube file as Source.
> This should do it.
> Thank you again for your answers
>
Just to add that we have added more chemistry to VTK, in the form of
Blue Obelisk Data Repository for atom colors, radii, symbols, names,
etc along with things like a vtkMolecule data structure and a simple
bond perceiver. This should hopefully gain some exposure in future
ParaView releases so that it is easier to view molecular structure and
related data.

Marcus