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SIR2000‐N , a program for large and small crystal structures
Author(s) -
Burla Maria Cristina,
Camalli Mercedes,
Carrozzini Benedetta,
Cascarano Giovanni Luca,
Giacovazzo Carmelo,
Polidori Giampiero,
Spagna Riccardo
Publication year - 2001
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/s0021889801005672
Subject(s) - phaser , tangent , ab initio , crystal (programming language) , resolution (logic) , crystallography , crystal structure , molecule , computer science , materials science , physics , chemistry , geometry , mathematics , optics , quantum mechanics , programming language
The program SIR2000 [Burla et al. (2000). Acta Cryst. A 56 , 451–457] was designed for the ab initio solution of macromolecular crystal structures, provided that the data resolution is no lower than 1.2 Å. As the phasing procedure of SIR2000 is rather time consuming, modifications have been introduced to improve its efficiency and to make it additionally suitable for small molecules (new version SIR2000‐N ). The role of the tangent refinement in modern phasing procedures is enlightened.