SIR99, a program for the automatic solution of small and large crystal structures

Citation
Mc. Burla et al., SIR99, a program for the automatic solution of small and large crystal structures, ACT CRYST A, 55, 1999, pp. 991-999
Citations number
48
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION A
ISSN journal
01087673 → ACNP
Volume
55
Year of publication
1999
Part
6
Pages
991 - 999
Database
ISI
SICI code
0108-7673(19991101)55:<991:SAPFTA>2.0.ZU;2-E
Abstract
The moduli and flow diagram of the program SIR99 are described. New phasing algorithms are proposed working both in direct and in reciprocal space. Th eir cooperative work is able to solve the structures of both small and larg e molecules. In particular, small proteins can be solved ab initio without any use of prior information and any user intervention. The efficiency of t he various algorithms employed by SIR99 has been tested, and the role of th e tangent formula clarified. The user is also provided with some practical information concerning the computer power needed.