NanoCAD/molecular modelling not in Java

Sarah Marr (sarah.marr@dial.pipex.com)
Mon, 04 Aug 1997 18:50:03 +0100

Still can't recommend Accumodel enough, if you want something on your local
disk. It took me about 10 minutes to construct a 'nano-cog' based on
benzene molecules. This was helped because once I had roughly arranged 6
benzenes at right angles to two central benzene rings, the energy
minimization correctly organized them to form the teeth of the cog. Then I
could save the entire structure and add the structure to itself to produce
a longer cog: the energy minimization calculations were intelligent enough
to match the spokes and core of the cog precisely. Plus stero-pair viewing.
Plus library of basic organic building-blocks. Plus...

available from: http://www.microsimulations.com/accumodel.html

Sarah

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email: sarah.marr@dial.pipex.com
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