[ghemical-devel] molecular surface

Geoff Hutchison hutchisn@chem.northwestern.edu
Tue, 24 Jun 2003 17:29:15 -0500


On Monday, June 9, 2003, at 01:34  AM, Tommi Hassinen wrote:

> Yep, the surface/plane classes are at plane.cpp and surface.cpp. These
> classes do not have any "hard-coded" functions that they call to 
> calculate
> the values.

I've always wondered if we could hack that a bit to store information 
in the file format. That way you could display surfaces/cube data 
around the molecule and use Ghemical for a viewer for other program 
data. (Displaying MOs from other programs would be great too, but 
that's a different subject.)

-Geoff