4 Sep
2007
4 Sep
'07
8:30 p.m.
Hi Ralf, That is disappointing. Lovely maps produced after a few phenix.refine runs for a 1.6 A structure revealed an unexpected tris ligand (TAM) with occupancy ~0.5. The density suggests that when tris is not there, a side chain moves very close to that position, thus my question. In other regards phenix seems a great step forward in automating refinement, and I look forward to new developments. best wishes, Cathy
Hi Cathy,
Is it possible to turn off nonbonded restraints for particular residues/monomers, or for atoms with occupancy less than 1.0?
Nope, sorry. It is on the (long) to-do list. BTW: each time someone asks the priority goes up.
Ralf