I am not quite sure I understand your question, but ligands are treated much the same way as any other moiety. The dictionary lists target distances, angles etc and the expected SD on these. The default values are chosen according to the chemical bond type. You should check these - the dictionary generators can easily make mistakes, detect planar groups where there are none and vice versa, get chiralities wrong, and assign single bonds when they should be aromatic, etc. You can edit the dictionary to correct these. The assignment of bond types, lengths and SDs follows standards, and I would hesitate to alter those unless yu have special knowledge. Eleanor Dodson On 15 Oct 2012, at 12:36, Danilo Belviso wrote:
> Hi! Does anybody know which is the range is used by REFMAC to vary bond > distances, angles, and torsions of a ligand molecule during a refinement > process? Is it possible to control and choose this range? In which way? Where > are these information in cif dictionary obtained by sketcher in CCP4? > thank you!! > > Danilo
