14 Aug
2009
14 Aug
'09
2:43 a.m.
Hi Simon, To add to the previous answers, note that phenix.refine currently doesn't work well if you want to allow symmetry copies of your ligands to overlap. If you move to individual coordinate refinement you have to fix such ligands; i.e. it won't automatically repair bonds distorted by rigid-body refinement. Removing this limitation is on my to-do list. Ralf