[ccp4bb] Refmac fatal error with newly added ligand

2015-06-08 Thread Lau Sze Yi (SIgN)
Hello, I generated my new ligand using smiles string in Phenix with elbow to generate my ligand cif and pdb file. I then open these in Coot along with my protein model and mtz and fitted this new ligand into my density. However Refmac failed with the following details in my log file: PDB_code:4

Re: [ccp4bb] New ligand 3-letter code

2015-06-07 Thread Lau Sze Yi (SIgN)
n a code if it is a new ligand to the database. Could you relay this to original poster? Thanks Jim Brannigan On 5 June 2015 at 11:28, Eleanor Dodson mailto:eleanor.dod...@york.ac.uk> <mailto:eleanor.dod...@york.ac.uk<mailto:eleanor.dod...@york.ac.uk>>> wrote: