[phenixbb] NCS constraints in phenix
Kenneth Verstraete
kenneth.verstraete at ugent.be
Wed Jun 30 08:34:07 PDT 2010
Dear all,
I am working on a low resolution dataset (4.2 angstrom) of a
multidomain complex. Using MR and density modification with NCS I
obtained map in which I am extending/modifying my MR-models for the
different domains. I tried to build the mainchain as a polyala model
(extending on my MR-models) and then refined my new model in
phenix.refine using torsion angle refinement.
I have fourfold NCS and I think a this point it would be advantageous
to use NCS-constraints instead of restraints. Is this possible in
phenix?
If I set the coordinate_sigma in de .def file to zero will this result
in constrained NCS-refinement?
ncs
{
restraint_group {
reference=XXX
selection=YYY
coordinate_sigma=0.00
b_factor_weight=10
}
Thank you very much for your advice,
kind regards,
Kenneth
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