Hi all, If a crystallographer determines a liganded structure of say a new small molecule. Where does the cif file come from when the next version of ccp4/phenix gets released. Along the same lines. If a cif file is not quite correct (or were not parsed against the CSD) and is subsequently updated by an individual. Is there a process for updating existing ligand cif files?
My reason for the question is around several ligand complexes that we have had to generate new cif files in order to get the correct conformational parameters (centred around unsaturated rings) Regards Joel _________________________________ Joel Tyndall, PhD Associate Professor in Medicinal Chemistry National School of Pharmacy University of Otago PO Box 56 Dunedin 9054 New Zealand Skype: jtyndall Ph: +64 3 479 7293
