New developments of the TWIN algorithm for phase extension and refinement in disordered supramolecular structures

Acta Crystallogr A. 2000 Nov;56(Pt 6):606-8. doi: 10.1107/s0108767300011314.

Abstract

A new development of the TWIN algorithm is described and used for phase extension/refinement in supramolecular complexes. A small number of phased reflections at low resolution are sufficient for the quasi-automated determination of all atomic coordinates, including disordered atoms.

MeSH terms

  • Algorithms*
  • Crystallography, X-Ray / methods*
  • Molecular Conformation*