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MathGroup Archive 1999

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Re: crystal structure?

  • To: mathgroup at
  • Subject: [mg19657] Re: crystal structure?
  • From: Martin Kraus <Martin.Kraus at>
  • Date: Wed, 8 Sep 1999 02:24:10 -0400
  • Organization: Institut fuer Informatik, Universitaet Stuttgart
  • References: <7qulck$>
  • Sender: owner-wri-mathgroup at

Big Fish wrote:
> Hello,
> Is there a painless way to draw a nice, smooth,
> ball-and-stick type, preferably with a 3D shading,
> crystal or molecular structure using Mathematica?
> Yes: How?
> No: Does anyone know of any Windows or UNIX
> software, hopefully freeware but will consider
> a reasonably priced commercial one, that will
> allow me to do that AND save the resulting file
> in postscript format?
> Thanks a lot!
> Ebe

The picture in the graphics gallery of Wolfram

was created by Alastair McLean, who
has also some packages for crystal structures:

Perhaps he has also some functions for the nice spheres
and sticks. Otherwise you have to replace points
by spheres and lines by cylinders, good exercise in rule-based
programming I guess. :) 


Martin Kraus

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