SIR97: a new tool for crystal structure determination and refinement

Abstract

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.

Keywords

Section (typography)Computer scienceGraphicsDirect methodsInterface (matter)Computational scienceFourier transformCrystal (programming language)AlgorithmCrystallographyComputer graphics (images)ChemistryMathematicsProgramming languageParallel computingMathematical analysisOperating system

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Publication Info

Year: 1999
Type: article
Volume: 32
Issue: 1
Pages: 115-119
Citations: 9063
Access: Closed

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APA Style

                            
                                
                                    Angela Altomare, 
                                
                                    M. C. Burla, 
                                
                                    Mercedes Camalli
                                
                                et al.
                            
                            (1999). 
                            <i>SIR</i>97: a new tool for crystal structure determination and refinement. 
                            Journal of Applied Crystallography
                            , 32
                            (1)
                            , 115-119.
                            https://doi.org/10.1107/s0021889898007717
                        

Identifiers

DOI: 10.1107/s0021889898007717

<i>SIR</i>97: a new tool for crystal structure determination and refinement