, Oarabile
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Residues won't stay in electron density
This should do it (if not please get back to me off-list with sending data and
model files):
Refinement settings -> Ligand linking , then Options->Link metals .
phenix.refine does not trust
This should do it (if not please get back to me off-list with sending data
and model files):
Refinement settings -> Ligand linking , then Options->Link metals .
phenix.refine does not trust anything in PDB file header except CRYST1
records.
Pavel
On Fri, Mar 6, 2015 at 10:17 AM, Kgosisejo, Oara
Dear Oarabile M. Kgosisejo,
if you add distant restraints between the metal and the oxygens, the side chains
should not be pulled into the centre.
I think that refmac5 recognises the LINK records in the PDB file, e.g. with the
syntax
LINKZNZN A2666 SG CYS A 102 1
