Did you rename the ligand in the CIF file as well? It would be nice if the Prodrg interface allowed you to type in the
name of the ligand you want in the CIF and PDB file. Hopefully a global replace in your favourite text editor of DRG
with LIG or whatever you want to call your ligand would work. You would have to do that on the separate pdb and CIF
files and then merge the two or more CIF files into one if you have more than one ligand. I must admit to this being
theory I have not tested it in practice.
Best wishes
Nick
--
Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck, University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX
email n.k...@mail.cryst.bbk.ac.uk
Telephone 020-7631-6852 (Room G57 Office)
020-7631-6800 (Department Office)
Fax 020-7631-6803
If you want to access me in person you have to come to the crystallography
entrance
and ring me or the department office from the internal phone by the door
