CNS has a script for this:
neighbours.inp
Chris
On Thu, 8 Mar 2007, Manfred S. Weiss wrote:
>>>Hi all,
>>>
>>>before I start with some scripting myself, does anybody have a
>>>utility, which takes a PDB and the cell and space group information
>>>and then writes out the original PDB together with all molecules
>>>contacting the first one in the crystal?
>>>
>>>Thanks,
>>>
>>>Manfred.
>>>
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>>>* *
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>>>
Christopher L. Colbert, Ph.D.
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University of Texas Southwestern Medical Center FAX: (214) 645 5945
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