[phenixbb] phenix.refine special positions

Simon Kolstoe 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  
  refinement again.

     "ATOM      4  C4  A12 L   2 .*.     C  "

Atoms at special positions are within rigid groups.



More information about the phenixbb mailing list