11 Dec
2009
11 Dec
'09
5:45 p.m.
Hi Maia,
Thanks for the suggestion. My original question was that the phenix refines the isoalloxazine ring as a flat plane whereas refmac refines it bent. (Same cif file) And the density fits the shape produced by each program. I guess, I should tighten restraints in refmac and see if it can make the plane and look at the difference map.
Do you have planarity restraints or just dihedrals ("tor" in the cif file)? If I understand correctly, in refmac only the dihedrals with periodicity zero are actually restraint. You could verify this by running the same refmac refinement with all non-zero periodicity dihedrals commented out in the cif file. Ralf