From chemistry-request@ccl.net Wed May 29 09:14:55 1991
Date: Wed, 29 May 91 08:30 EST
From: "DOUGLAS A. SMITH" <FAX0236@uoft02.utoledo.edu>
Subject: Re: Public Domain Mol Graphics for the Apollo
To: wipke@SECS.UCSC.EDU, chemistry@ccl.net, dolata@mercury.aichem.arizona.edu
Status: R

My research group has been active in porting software to the Apollo
workstation platform (i.e. the older DN series, not the new HP stuff).
The following software is available from the sources described:

MM2 (optimized port)	QCPE
MOPAC 5.0		QCPE or DAS
MOPAC 6.0		DAS
GAMESS			Mike Schmidt
XDRAW			DAS

The last one, XDRAW, is an Xwindow port of the DRAW program usable to
visualize molecules from MOPAC.  It includes not only X, but an Apollo
GPR specific driver (also an HP 9000 and SUN driver as well).  DAS means
you can get the program from me.

I also have three other pieces of software which we ported to the Apollo.
PSI88 is Bill Jorgensos's molecular orbital display package.  Bill has
always let me give it away in the past, but I always ask that you get
his permission first.  PSI88 has GKS, HPGL, and PostScript drivers, so
you need one of those on your Apollo.  We bought Apollo GKS, but I would
not recommend it for this purpose.  Instead, we use a postscript viewer
called PSINT, which we got from someone in France and which I am allowed
to distribute.  The third piece of software is DENSITY, which came from
the Air Force just as did DRAW.  Density requires DRAW or XDRAW as a
front end.

While I don't mind giving any of this away, I ask that you give us credit
if you use our ports or software for research and, if you are a commercial
outfit (or just big hearted) a token payment for software, media, etc. so
that we can continue our development work is always appreciated.

Doug Smith
Assistant Professor of Chemistry
The University of Toledo
Toledo, OH  43606-3390

voice    419-537-2116
fax      419-537-4033
email    FAX0236@UOFT02.UTOLEDO.EDU