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Hi, How do you create geometric restraints for covalently attached ligands in Refmac5. Can I include the whole amino acid residue as part of the ligand or should I keep just the atom of the amino acid that is attached to the ligand and satisfy its valencies with hydrogens. How would I then adjust the pdb so that the dictionaries and the pdb file match up. Also, how is metal chirality created for metal complexes. In my case, the ligand has two irons, monomer sketcher creates chirality specifications for one of them, I tried to create manually for the other but really dont know the basis. I followed the assignment rule as learned for carbon, but it doesnt work for Fe. Appreciate any help. Arti Pandey
