[ccp4bb] covalent bond

2017-12-07 Thread gerardo andres
Hi everyone. I´m trying to make a covalent bond between a cystein residue of a protein and its ligand, but always that I do the refinement by Phenix, the ligand is placed outside of its electronic density. I edited the PDB file like this: LINK         SG  CYS A 215                 C02 LIG C   1

[ccp4bb] Conserved water

2017-06-06 Thread gerardo andres
Hi everyone, does anyone know any strategy or program (besides pywater) to identify conserved waters in a protein? Thanks,  Gerardo