Index

Protein Data Bank exchange dictionary (pdbx) version 1.0521

_pdbx_refine_component.shift

Definition:

   
      The tendency of the group of atoms (e.g. residue
      or ligand, side chain, main chain)  to move away from its current position.

      Displacement of atoms from electron density is estimated from the
      difference (Fobs - Fcal) map. The displacement vector is the ratio of
      the gradient of difference density to the curvature. The amplitude of
      the displacement vector is an indicator of the positional error.

      Ref: Vaguine, A.A., Richelle, J. & Wodak, S.J. (1999). Acta Cryst. D55,199-205

Type: float

Mandatory item: no

Category: pdbx_refine_component