Crystal structure determination and refinement viaSIR2014. (1st February 2015)

• Record Type: Journal Article
• Authors: Burla, Maria Cristina; Caliandro, Rocco; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Cuocci, Corrado; Giacovazzo, Carmelo; Mallamo, Mariarosaria; Mazzone, Annamaria; Polidori, Giampiero
• Is Part Of: Journal of applied crystallography. Volume 48:Part 1(2015:Feb.)
• Page Start: 306
• Page End: 309
• Publication Date: 2015-02-01
• Subjects: Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S1600576715001132
• Languages: English
• ISSNs: 0021-8898

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <italic>SIR2014</italic> is the latest program of the <italic>SIR</italic> suite for crystal structure solution of small, medium and large structures. A variety of phasing algorithms have been implemented, both <italic>ab initio</italic> (standard or modern direct methods, Patterson techniques, <italic>Vive la Différence</italic>) and non‐<italic>ab initio</italic> (simulated annealing, molecular replacement). The program contains tools for crystal structure refinement and for the study of three‐dimensional electron‐density maps <italic>via</italic> suitable viewers.</p> </abstract>