Re: [phenixbb] Rigid body refinement question

During rigid-body refinement, the bonds/angles/dihedrals/nonbondeds to the non-refined sites are not restrained. This could seriously mess up the geometry.

Just to clarify: all the above parameters do not change for all atoms within the rigid group. They can get distorted at the border: say you split a chain into two rigid groups, then the bond corresponding to a hinge point where the one rigid group ends and the second one starts, can get distorted. You can do torsion angle SA which is constrained rigid body refinement: the whole molecules is split into tiny rigid bodies and they are refined without breaking the stereochemistry. Pavel.