Hello Manfred and CCP4bb,
Funny, you are not the only person trying to something like this, so I have a
CCP4mg script (attached) which does the job. You do need a recent version of
ccp4mg for it to work - contact me for details.
Liz
On Thursday 08 March 2007 15:33, 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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