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
