Subject: CCL: Molecular vis. for publication?

From: Tony Dyson <[email-masked]>
Date: Mon, 17 Jul 1995 12:17:58 +0000 (CUT)

I have, over the past three years, been looking for a software package which
can, starting with a 3-d set of coordinates, produce publication quality
molecular diagrams including annotations such as bond lengths and angles. 
So far my search has been fruitless.

Sure, there are ways to do this task, but all seem to involve quite a lot 
of chopping and changing from one software tool to another, with all the 
associated glitches and problems.

Molecular Arts Corporation advertised on this list (I think), and other 
internet places, a package called Molecules-3D, which sounded promising. 
I wrote to them and received some information about the package, but 
still couldn't tell whether or not it would do the job. I described 
precisely what I wanted to do, but all they could come up with was the 
standard sales blurb. Anyhow I went ahead and purchased it. I was stunned 
to find in the box an advertisement for something called Chem-Exhibit, 
which, on paper at least, seems to provide all the functionality I want. 
The strange thing is that they didn't send this brochure when I initially 
made enquiries. Also, I have had no response to my e-mail requests for 
more information regarding Chem-Exhibit. Not a great confidence-builder 
for the promised technical help!

Anyhow, I have two queries:

1. Does anybody have experience with Chem-Exhibit? Or any other package 
   that they particularly recommend to perform the tasks I mentioned? I 
   should mention that I use both unix and DOS/Windows platforms, and 
   work with systems of up to two or three hundred atoms.

2. I have used rayshade to produce a few diagrams, and have recently 
   gotten hold of POV-Ray. Are there any tools available that 
   can assist me in preparing POV-Ray input files from my 3-D geometries? 
   If not it should be simple enough to create some, but I thought I'd 
   ask around first.

With so many research groups working on molecular structure, there _must_ 
be a simple way to create publication quality diagrams without spending 
thousands on Data Explorer or AVS!

	Tony

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  Mr. Anthony J. Dyson		[email-masked]
  Dept. of Physics		phone: +49 21 5425
  University of Newcastle	fax:   +49 21 6907
  Callaghan, Australia, 2308

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