pisa at the ebi will do this very nicely.
Upload your pdb files.
PISA is part of the CCP4 distribution too, but the EBI output is prettier
Eleanor
On 4 Jan 2013, at 22:11, Brad Bennett wrote:
> Hi all-
> I have 2 PDB files of the same protein (in slightly different states) and I want to output a table of interactions (preferably hydrogen bonds, salt bridges) that are unique to a structure i.e. Ser22 OG forms a hydrogen bond to Lys25 NZ in structure 1 but not in structure 2. In other words, I'd like to generate a difference set of contacts. Is there a way I can run NCONT or CONTACT or other software (or nifty scripting) to do this?
>
> Thanks and have a nice weekend-
> Brad
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