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SIR 97: a new tool for crystal structure determination and refinement
Author(s) -
Altomare Angela,
Burla Maria Cristina,
Camalli Mercedes,
Cascarano Giovanni Luca,
Giacovazzo Carmelo,
Guagliardi Antonietta,
Moliterni Anna Grazia Giuseppina,
Polidori Giampiero,
Spagna Riccardo
Publication year - 1999
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889898007717
Subject(s) - section (typography) , computer science , graphics , direct methods , interface (matter) , computational science , fourier transform , crystal (programming language) , algorithm , crystallography , computer graphics (images) , chemistry , mathematics , programming language , parallel computing , mathematical analysis , operating system , bubble , maximum bubble pressure method
SIR 97 is the integration of two programs, SIR 92 and CAOS , the first devoted to the solution of crystal structures by direct methods, the second to refinement via least‐squares–Fourier procedures. Several new features have been introduced in SIR 97 with respect to the previous version, SIR 92: greater automatization, increased efficiency of the direct methods section, and a powerful graphics interface. The program also provides publication tables and CIF files.