New developments of the TWIN algorithm for phase extension and refinement in disordered supramolecular structures.
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.
Bethanis
K
K
Physics Laboratory, Agricultural University of Athens, 75 Iera Odos, Votanikos, Athens 118-55, Greece.
Tzamalis
P
P
Hountas
A
A
Tsoucaris
G
G
Kokkinou
A
A
Mentzafos
D
D
D000465:Algorithms; D018360:Crystallography, X-Ray / Q000379:methods*; D008968:Molecular Conformation