CCL: Molecular vis. for publication?
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!
Mr. Anthony J. Dyson tony at.at schroeder.newcastle.edu.au
Dept. of Physics phone: +49 21 5425
University of Newcastle fax: +49 21 6907
Callaghan, Australia, 2308