Subject: Viewing MOLCAS Molecular Orbitals

From: "Eric C. Brown" <[email-masked]>
Date: Mon, 13 Sep 1999 20:26:39 -0700

Dear CCLers,

    We are interested in viewing molecular orbitals (graphically) from
MOLCAS v.4 calculations.  Our current setup allows us to use Chem3D Ultra
and read in Gaussian 98 .cub files, which allows us to ensure that the
active space is, indeed, the relevant selection.

    In addition to Gaussian 98 results, we also wish to do the same with
MOLCAS calculations.  Does anyone know of a way to view these orbitals, or
even better, how to convert them to the cubegen file format?

Any and all help is appreciated!

Eric Brown
University of Washington
Department of Chemistry

P.S.  Could you please cc: my email as well as the list?