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Sir2011

Software
Publication Date:
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.
Iris type:
05.11 Software
Keywords:
computer programs; crystal structure determination; phasing algorithms; macromolecular crystallography
List of contributors:
Giacovazzo, Carmelo; Spagna, Riccardo; Burla, MARIA CRISTINA; Polidori, Giampiero; Camalli, Mercedes; Carrozzini, Benedetta; Caliandro, Rocco; Mazzone, Annamaria; Cascarano, GIOVANNI LUCA
Authors of the University:
CALIANDRO ROCCO
CARROZZINI BENEDETTA
MAZZONE ANNAMARIA
Handle:
https://iris.cnr.it/handle/20.500.14243/428143
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