SIR2004: an improved tool for crystal structure determination and refinement

Autor: Burla M.C. 1, Caliandro R. 2, Camalli M. 3, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2, 4, Polidori G. 1, Spagna R. 3

Publikováno v: Journal of applied crystallography 38 (2005): 381–388. doi:10.1107/S002188980403225X
info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Camalli M. 3, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2,4, Polidori G. 1 and Spagna R. 3/titolo:SIR2004: an improved tool for crystal structure determination and refinement/doi:10.1107%2FS002188980403225X/rivista:Journal of applied crystallography/anno:2005/pagina_da:381/pagina_a:388/intervallo_pagine:381–388/volume:38

SIR2004is the evolution of theSIR2002program [Burla, Camalli, Carrozzini, Cascarano, Giacovazzo, Polidori & Spagna (2003).J. Appl. Cryst.36, 1103]. It is devoted to the solution of crystal structures by direct and Patterson methods. Several new featu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4392999bd5eb995a266af91c7a86049d
https://doi.org/10.1107/s002188980403225x

Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit

Autor: Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2, 3, Polidori G. 1, Siliqi D. 2

Publikováno v: Journal of applied crystallography 39 (2006): 728–734. doi:10.1107/S0021889806028548
info:cnr-pdr/source/autori:Burla M.C. 1, Caliandro R. 2, Carrozzini B. 2, Cascarano G.L. 2, De Caro L. 2, Giacovazzo C. 2,3, Polidori G. 1, Siliqi D. 2/titolo:Use of Patterson-based methods automatically to determine the structures of heavy-atom-containing proteins with up to 6000 non-hydrogen atoms in the asymmetric unit/doi:10.1107%2FS0021889806028548/rivista:Journal of applied crystallography/anno:2006/pagina_da:728/pagina_a:734/intervallo_pagine:728–734/volume:39

The Patterson superposition methods described by Burlaet al.[J. Appl. Cryst.(2006),39, 527–535], based on the use of the `multiple implication functions', have been enriched by supplementary filtering techniques based on some general (resolution-de

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http://hdl.handle.net/11391/157943

SIR2002: the program

Autor: Burla M.C. 1, Camalli M. 2, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2, Polidori G. 1, Spagna R. 2

Publikováno v: Journal of applied crystallography 36 (2003): 1103.
info:cnr-pdr/source/autori:Burla M.C. 1, Camalli M. 2, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2, Polidori G. 1, Spagna R. 2/titolo:SIR2002: the program/doi:/rivista:Journal of applied crystallography/anno:2003/pagina_da:1103/pagina_a:/intervallo_pagine:1103/volume:36

The structure solution of small molecules is, nowdays, almost a routine process; the ab initio structure solution of macromolecules is, on the country, a challenge for anu crystallographic software. Four programs are well documented: Shake-and-bake (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=cnr_________::59cbccbfce41a4e5b968980aa5159d37
https://publications.cnr.it/doc/19556