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Hi Louise, for internal use the name of your ligand does not matter as long as you have a .cif file describing the restraints. I am not sure about the behavior of refmac, but in phenix the presence of a defined name in a .cif file takes precedence over any duplicate entry in your monomer library. As far as PDB submission is concerned: it is my experience that they will rename your ligand to some arbitrarily name anyhow upon annotating the entry, so I would not sweat that part too much. HTH Carsten -----Original Message----- From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of Louise Fairall Sent: Wednesday, February 26, 2014 6:14 AM To: [log in to unmask] Subject: [ccp4bb] New ligand Hello, we have a structure with a novel ligand. I used to use LIG for new ligands but now that is taken in the PDB by 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE. Any suggestions for a generic name that is not already used? thanks and best wishes, Louise