3 Nov
2008
3 Nov
'08
4:54 p.m.
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 rigid_body.min_number_of_reflections ? 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. Ralf