The SIR (Semi-Invariants Representation) package has been developed for solving crystal structures by a variety of matematical approaches (Direct and Patterson Methods, VLD, Direct Space Methods, Molecular Rplacement). The present release of the program [1}, Sir2014 (v. 17.01) is designed to solve ab initio molecules of different size and complexity, up to proteins, provided that data resolution is no lower than 2.0 Å. Data can be collected using X-Ray or electron sources. The program can also be applied to Molecular Replacement problems, providing a powerful pipeline to solve and refine protein structures. New features and a new Graphical User Interface will be shown. The program is available at the web site: http://www.ba.ic.cnr.it/softwareic/sir2014/ [1] M.C. Burla, R. Caliandro, B. Carrozzini, G.L. Cascarano, C. Cuocci, C. Giacovazzo, M. Mallamo, A. Mazzone, G. Polidori Jour. Appl. Cryst., 2015, 48, 306-309.
The Sir Program
Burla MC;Caliandro R;Carrozzini B;Cascarano GL;Cuocci C;Giacovazzo C;Mazzone A;
2017
Abstract
The SIR (Semi-Invariants Representation) package has been developed for solving crystal structures by a variety of matematical approaches (Direct and Patterson Methods, VLD, Direct Space Methods, Molecular Rplacement). The present release of the program [1}, Sir2014 (v. 17.01) is designed to solve ab initio molecules of different size and complexity, up to proteins, provided that data resolution is no lower than 2.0 Å. Data can be collected using X-Ray or electron sources. The program can also be applied to Molecular Replacement problems, providing a powerful pipeline to solve and refine protein structures. New features and a new Graphical User Interface will be shown. The program is available at the web site: http://www.ba.ic.cnr.it/softwareic/sir2014/ [1] M.C. Burla, R. Caliandro, B. Carrozzini, G.L. Cascarano, C. Cuocci, C. Giacovazzo, M. Mallamo, A. Mazzone, G. Polidori Jour. Appl. Cryst., 2015, 48, 306-309.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
