Programs for phasing by entropy maximization as implemented in Xtal3.2: a crystallographic software system.
Xtal3.2, a crystallographic software package, is an international development project involving about 40 researchers over a full spectrum of crystallographic interests. This development has been supported by many national and international agencies and commercial institutions since the first version in 1983. The 1992 release, Xtal3.2, contains software for 95 different calculations. These range from the processing of raw diffraction data to interactive molecular graphics, atomic charge estimation, electronic publication preparation, and the structure solution and refinement of small and large molecules. Tests of the Xtal programs for phase determination and phase refinement by the application of 'maximum entropy' are presented.
Stewart
J M
JM
University of Maryland, College Park 20742, USA.
Collins
D M
DM
Watenpaugh
K D
KD
Prince
E
E
Hall
S R
SR