Hi Louise, You can go through the mon_lib_list.cif file of the CCP4 dictionary to get a name that is free (e.g. A97). It would be nice is a certain name would be reserved for this by the PDB. LIG was a good candidate, but it's gone just like other nice options (XXX, ZZZ, 000).
Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Louise Fairall > Sent: Wednesday, February 26, 2014 12:14 > To: CCP4BB@JISCMAIL.AC.UK > 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
