Re: [ccp4bb] Creating CIF Files and Renaming Ligands

2011-08-25 Thread Ai Fen Chai
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

Re: [ccp4bb] Creating CIF Files and Renaming Ligands

2011-08-25 Thread Nicholas Keep
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 wor

[ccp4bb] Creating CIF Files and Renaming Ligands

2011-08-24 Thread Ai Fen Chai
Hi all, I want to add 2 new ligands (that do not exist in PDB) to my structure. I generated the ligands from PRODRG. The problem is that both of the ligands have the same name DRG. After renaming the ligands in both PDB and CIF files, I always get this error message "CIF dictionary does not contai