Hi all, Thanks for the suggestions! Anyway, the problems have been fixed! When I edited the CIF files in a mac editor, the file formatting got changed, so a line feed became a carriage return and Coot does not like this as to it they appear to be different files. The CIF files were fixed by using gedit on the old files on linux machine and global replace with match case/whole word only option on. They now are recognized by COOT.
Ai Fen On Thu, Aug 25, 2011 at 8:45 PM, Nicholas Keep <n.k...@mail.cryst.bbk.ac.uk>wrote: > 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 >
