[phenixbb] phenix.refine special positions
s.kolstoe at ucl.ac.uk
Thu Aug 13 07:14:44 PDT 2009
Dear Pavel et al.
Is there any way of defining a residue for rigid body refinement if a
couple of the atoms are sitting on a symmetry axis? i.e. can I define
the rigid body to be chain L but not the atoms that are giving the
problems? I keep on getting the error:
================== Extract refinement strategy and selections
Some atoms selected for rigid body refinement are in special positions
below). Please remove these atoms from the rigid body selection and
"ATOM 4 C4 A12 L 2 .*. C "
Atoms at special positions are within rigid groups.
More information about the phenixbb