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