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Path: utzoo!utgpu!news-server.csri.toronto.edu!rpi!zaphod.mps.ohio-state.edu!unix.cis.pitt.edu!jordan
From: jordan@unix.cis.pitt.edu (Kenneth D Jordan)
Newsgroups: comp.sys.amiga.graphics,comp.sys.amiga.programmer,comp.sys.amiga.applications,comp.sys.amiga.misc
Subject: Molec3D; to anyone for whom it works
Keywords: Amiga, Molec3D, molecular modelling
Message-ID: <142845@unix.cis.pitt.edu>
Date: 21 Jun 91 18:26:55 GMT
Organization: Univ. of Pittsburgh, Computing & Information Services
Lines: 50

To anyone for whom Molec3D (fish disk 482) actually works:

Despite my best efforts I still can't get Molec3D to read its own demo
files.  The error I always get is a requester with the following message:

	Undefined connect-item: A##*

where A## is the last center in the last bond, and * is some nonprinting
character.  I get the same result on three machines:

	1.  A1000 with 512k chip and 512k fast RAM (KS 1.2)
	2.  A1000 with 512k chip and  2M  fast RAM (KS 1.3)
	3.  A3000 with  1M  chip and  8M  fast RAM (KS 2.0)

This is getting rather frustrating, especially since it

	1.  looks useful for things I'm presently working on
	2.  claims to work on "any Amiga"
	3.  goes so far as to specify someone who performed "testing"

I downloaded it from isca.icaen.uiowa.edu several times, unpacking it
on an A1000, and A3000, and a UNIX host on which I installed a different
port of lharc than I have running on my Amigas.  I also found it on
minnehaha.rhrk.uni-kl.de and downloaded it from there (in ff482.lzh),
with all files comparing identical.

To those on the net for whom Molec3D actually works:

	1.  Where did you get it?
	2.  If possible, would you send either file sizes and checksums
	    or the Molec3D program and a working data file to me at
	    nystrom@a.psc.edu?
	3.  What is your hardware configuration?
	4.  I get a system crash if I select "CANCEL" in the file
	    requester.  Is this behavior also anomalous?

To anyone else:

	1.  Do you have Dr. Stefan Albrecht's E-Mail address?  I'd like
	    to correspond with him concerning possible extensions to
	    Molec3D to handle Gaussian xx style Z matrices.

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         Nick Nystrom    University of Pittsburgh    nystrom@a.psc.edu
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         Nick Nystrom    University of Pittsburgh    nystrom@a.psc.edu
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