CCL: Generating neighboring molecule



Mercury from CCDB is free and can easily do this from a cif.
Brad Rose



-------- Original message --------
From: "Bradley K Welch bwelch5 .. slu.edu" <owner-chemistry- at -ccl.net>
Date: 07/17/2013 6:56 PM (GMT-08:00)
To: "Rose, Bradley -id#3ds-" <brose- at -live.com>
Subject: CCL: Generating neighboring molecule



Sent to CCL by: "Bradley  K Welch" [bwelch5]-[slu.edu]
Dear All,

I have a .cif of a molecule from the literature. I want to do a calculation on
its dimer. The authors give the transformation to generate the neighboring
molecule (the .cif does not include the dimer). What software could I use to
help me generate the molecule? I have chemcraft and jmol but any other program
suggested works would be fine as well. 

Bradley Welch



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