Re: [ccp4bb] jumping ligand

2011-11-30 Thread Garib N Murshudov
Does it happens when you use automatic NCS restraints? On 30 Nov 2011, at 18:40, Ed Pozharski wrote: > Did anyone ever seen a ligand molecule (or water, maybe) moved into a > symmetry-related position upon refinement in refmac? If that is a > feature (e.g. to make sure that non-protein stuff is

[ccp4bb] jumping ligand

2011-11-30 Thread Ed Pozharski
Did anyone ever seen a ligand molecule (or water, maybe) moved into a symmetry-related position upon refinement in refmac? If that is a feature (e.g. to make sure that non-protein stuff is coordinated to the spot of the closest contact), how can I disable it? Cheers, Ed. -- Oh, suddenly throwi