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Re: crystal structure?

• To: mathgroup at smc.vnet.net
• Subject: [mg19657] Re: crystal structure?
• From: Martin Kraus <Martin.Kraus at informatik.uni-stuttgart.de>
• Date: Wed, 8 Sep 1999 02:24:10 -0400
• Organization: Institut fuer Informatik, Universitaet Stuttgart
• References: <7qulck$2pm@smc.vnet.net>
• Sender: owner-wri-mathgroup at wolfram.com

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 

http://library.wolfram.com/graphics/index_2_diagrams3.html

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

http://nanophysics.phy.queensu.ca/mma.html

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. :) 

Greetings

Martin Kraus