Sir2002 is now releasedTo register and download Sir2002 (sequel to Sir97), goto http://www.ic.cnr.it
A new phasing procedure, working both in direct and in reciprocal space, has been implemented into the program Sir2002 [1,2,3,4], the heir of SIR97[6]. It is able to routinely solve ab initio crystal structure of proteins and small molecules without any use of prior information and any user intervention. Its efficiency has been tested by several protein diffraction data. Success has been attained even for crystal structures with about 2000 non-hydrogen atoms in the asymmetric unit, provided the data resolution is higher than 1.2 Ang. The program Sir2002 proved to be successful for a large variety of space groups and for structures of different complexity. The phasing procedure is rather time consuming: modifications have been introduced to tune its power in order to be suitable either for proteins either for small molecules. The program is now available for distribution. [1] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L., Giacovazzo, C., Polidori, G. & Spagna, R. (2000). Acta Cryst., A56, 451-457. [2] Burla M.C., Carrozzini, B., Cascarano, G.L., Giacovazzo, C. & Polidori, G. (2000). J. Appl. Cryst., 33, 307-311. [3] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L., Giacovazzo, C., Polidori, G. & Spagna, R. (2001). J. Appl. Cryst. -34, 523-526. [4] Burla M.C., Carrozzini, B., Cascarano, G.L., Giacovazzo, C. & Polidori, G. (2002). Zeit. fur Kristall. 217, 000-000. [5] Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. - In preparation. [6] Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., Guagliardi A., Moliterni A.G.G., Polidori G. & Spagna R. (1999). J. Appl. Cryst. 32, 115-119
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