[phenixbb] no shift with rigid body
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon Nov 3 08:54:23 PST 2008
> I'm trying to do rigid body refinement against 3.5 A SeMet data, using
> a rigid_body group for each helix in the protein. The log file and the
> pdb results both report shifts for each of the rigid body groups, yet
> the coordinates overlay perfectly with the input coordinates.
> Can any one suggest what I might be doing incorrectly?
The rigid-body shifts seem too large to be reasonable. Could you try
with different values for
For example, rigid_body.min_number_of_reflections=200 and
rigid_body.min_number_of_reflections=400. It could also be useful to
increase rigid_body.number_of_zones at the same time.
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