Visualisation program suggestion
I am writing this note to solicit your comments on
any appropriate visualization package for developing molecular
graphics applications on a SGI workstation. I am looking for
a program that can extract from a cubic grid of
various electron density properties (computed from Gaussian
using the cube option) these features:
2D and 3D contour plots
3D multi-isovalued surfaces
gradient vectors (in 2D and 3D space)
Locations of maxima and minima
Specifically the program must enable me to produce
an isovalued electron-density surface.
The program also must put out the cartesian coordinates
of this surface which I will need for subsequent evaluation
of other quantities on this surface.
At present I have in my mind either AVS
(advanced visualization system) or Iris explorer.
Can someone comment on these two programs particularly?
My primiary considerations are prices, user-friendliness,
flexiblity and popularity among computational chemists.
Any suggestion of freeware would be very useful
although I've not been able to find one free program
that meets all my needs. Other than modular
graphics package an easy-to-program graphics subroutine
library (compatible with C if not FORTRAN)
would also be helpful. Thanks.
Department of Chemistry
York University, Toronto
email: wtchan %! at !% yorku.ca