I have a metal centre and I have constructed my dictionary. What I cannot do is restrain the metal to water distance. All my amino acid links are working. However even though I have created the dictionary and put the link in PDB header REFMAC ignores it and pushes the water back to 2.45A (rather than 2.32). Anyone able to help?
Jim The University of St Andrews is a charity registered in Scotland : No SC013532
