On Mon, Apr 13, 2015, jacob wick wrote:
>
> I have a crystal structure of an organic molecule from crystallographic
> database. I want to see how the molecule will look like in packed state
> (arrangement of the molecules in 3-D) i.e. when it is not alone but in the
> presence of many such molecules in the solid packed state.
Standard visualizaion programs like Chimera, VMD, etc will do this, as will
the Mercury program from CCSD (if that is the database you are using).
In Amber, you would use the UnitCell command (to create a single unit cell),
and the PropPdb command to create adjacent unit cell.s
....dac
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Received on Sun Apr 12 2015 - 20:00:03 PDT
