> What are the steps I need to go throughto see it in b6?
We need a mechanism to store the crystal dimensions A,B,C (A := number of unit cells in the a axis direction, etc) in Crystal.java in CDK, I'll do this...
This is not normally supplied in a molecule file. It could either come from an algorithm (find all atoms with a radius of 15 A from the origin and report what units cell translations are required) or from interactive user input (pack to A,B,C cells). I'd strongly suggest you look at crystallographic software before doing this. The Mercury system from CCDC is free (not open) and has a tutorial on packing. So you could get a feel for what interactive functionality Jmol might have.
P.
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