Subject: Re: CCL:G:Graphical Interface for Gaussian

From: [email-masked] (Per-Ola Norrby)
Date: Tue, 1 Apr 1997 08:53:29 +0100

Dear Jim,

>If anyone has knowledge of a program that can easily take Gaussian output
>and graphically display it, the information would be greatly
>appreciated.  We do have Spartan v. 4.1.1, but there seems to be
>difficulty in using it for this purpose.  I can be reached by direct
>e-mail at the following address:

        I'm using Spartan for viewing Gaussian, it works very nicely, I can
calculate properties in Spartan based on Gaussian wavefunctions, vibrations
etc..  However, I'm NOT trying to convert/submit from inside Spartan, I've
created a couple of Unix scripts doing the conversions for me.  I have old
but functional versions of the scripts on our web page (I'll get around to
updating them one day), http://compchem.dfh.dk/QueueScripts.html.  The ones
you want for conversions are "po_gfile" (Spartan > Gaussian com file) and
"po_g2sp" (Gaussian output and checkpoint files > Spartan).  Thanks to Joe
Leonard who helped me with some critical undocumented Spartan commands.

        Regards,

        Per-Ola Norrby

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 *  Per-Ola Norrby, Associate Professor
 *  The Royal Danish School of Pharmacy, Dept. of Med. Chem.
 *  Universitetsparken 2, DK 2100 Copenhagen, Denmark
 *  tel. +45-35376777-506, +45-35370850    fax +45-35372209
 *  Internet: [email-masked], http://compchem.dfh.dk/