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
