Re: [ccp4bb] Refmac and links between ligands

2010-02-01 Thread Jan Dohnalek
Problem solved. One must also switch to the "make sugar NO" keyword. Otherwise Refmac tries to use the discovered sugar and ion as if it was sugar-peptide bond. Jan Dohnalek On Mon, Feb 1, 2010 at 2:52 PM, Jan Dohnalek wrote: > Dear all > I understand that when I use the Refmac keyword > make

Re: [ccp4bb] Refmac and links between ligands

2010-02-01 Thread Garib Murshudov
Can you check your input file. It may contain contain link record already regards Garib On 1 Feb 2010, at 13:52, Jan Dohnalek wrote: Dear all I understand that when I use the Refmac keyword make link no Refmac should not apply found links. It keeps finding links between ligands (Na+ and liga

[ccp4bb] Refmac and links between ligands

2010-02-01 Thread Jan Dohnalek
Dear all I understand that when I use the Refmac keyword make link no Refmac should not apply found links. It keeps finding links between ligands (Na+ and ligand OH) and (I think) refines them as it issues a warning (not INFO), does not say "(not be used)" for these and the output .pdb file contain