[phenixbb] alternate conformation clashes with its symmetry mate
rebecca_page at brown.edu
Sun Apr 15 11:50:08 PDT 2012
It worked perfectly.
On Fri, Apr 13, 2012 at 8:48 PM, Nathaniel Echols <nechols at lbl.gov> wrote:
> On Fri, Apr 13, 2012 at 5:01 PM, Page, Rebecca <rebecca_page at brown.edu>
> > I have a protein in which the N-terminal residue is in two
> > conformations.When the residue is in the 'A' conformation, the sidechain
> > overlaps with the 'A' conformation sidechain density of its symmetry
> mate. I
> > have modeled the occupancy at 50%. However, every time I refine, phenix
> > pushes the 'A' conformer out of the density, likely due to clashing with
> > symmetry mate.
> > Is there anyway to get around this?
> I think this is what the parameter
> "custom_nonbonded_symmetry_exclusions" is for - it specifies an atom
> selection for which to turn off these interactions.
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> phenixbb at phenix-online.org
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