SIR97: a new tool for crystal structure determination and refinement

Abstract

SIR97 is the integration of two programs,SIR92 andCAOS, the first devoted to the solution of crystal structures by direct methods, the second to refinementvialeast-squares–Fourier procedures. Several new features have been introduced inSIR97 with respect to the previous version,SIR92: greater automatization, increased efficiency of the direct methods section, and a powerful graphics interface. The program also provides publication tables and CIF files.