Data di Pubblicazione:
2011
Abstract:
SIR2011, the successor of SIR2004, is the latest program of the SIR suite. It can
solve ab initio crystal structures of small- and medium-size molecules, as well as
protein structures, using X-ray or electron diffraction data. With respect to the
predecessor the program has several new abilities: e.g. a new phasing method
(VLD) has been implemented, it is able to exploit prior knowledge of the
molecular geometry via simulated annealing techniques, it can use molecular
replacement methods for solving proteins, it includes new tools like free lunch
and new approaches for electron diffraction data, and it visualizes threedimensional
electron density maps. The graphical interface has been further
improved and allows the straightforward use of the program even in difficult
cases.
Tipologia CRIS:
05.11 Software
Keywords:
computer programs; crystal structure determination; phasing algorithms; macromolecular crystallography
Elenco autori:
Giacovazzo, Carmelo; Spagna, Riccardo; Burla, MARIA CRISTINA; Polidori, Giampiero; Camalli, Mercedes; Carrozzini, Benedetta; Caliandro, Rocco; Mazzone, Annamaria; Cascarano, GIOVANNI LUCA
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