[phenixbb] selective nonbonded restraint removal
cathy.lawson at rutgers.edu
Tue Sep 4 20:30:38 PDT 2007
That is disappointing. Lovely maps produced after a few
for a 1.6 A structure revealed an unexpected tris ligand (TAM) with
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
I look forward to new developments.
> 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.
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