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SIR2011: a new package for crystal structure determination and refinement
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 three-dimensional electron density maps. The graphical interface has been further improved and allows the straightforward use of the program even in difficult cases.
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Phaser crystallographic software
McCoy, A. J., Grosse-Kunstleve, R. W., Adams, P. D., Winn, M. D., Storoni, L. C., & Read, R. J. (2007) · Journal of Applied Crystallography · doi:10.1107/s0021889807021206 · Cited by 20,612
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Cora, I., Mezzadri, F., Boschi, F., Bosi, M., Čaplovičová, M., Calestani, G., Dódony, I., Pécz, B., & Fornari, R. (2017) · CrystEngComm · doi:10.1039/c7ce00123a · Cited by 389
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Guo, P., Strohmaier, K., Vroman, H., Afeworki, M., Ravikovitch, P. I., Paur, C. S., Sun, J., Burton, A., & Zou, X. (2016) · Inorganic Chemistry Frontiers · doi:10.1039/c6qi00262e · Cited by 29
Elucidation of the Structures of Asymmetric Autocatalyst Based on X-ray Crystallography
Matsumoto, A., Fujiwara, S., Abe, T., Hara, A., Tobita, T., Sasagawa, T., Kawasaki, T., & Soai, K. (2016) · Bulletin of the Chemical Society of Japan · doi:10.1246/bcsj.20160160 · Cited by 24
Metadata
- Authors
- Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Mallamo, M., Mazzone, A., Polidori, G., & Spagna, R.
- Venue
- Journal of Applied Crystallography
- Published
- 2012-02-09
- Volume
- 45
- Issue
- 2
- Pages
- 357-361
- ISSN
- 0021-8898 (ISSN-L)
- OpenAlex
- W2002837318
- Cited by
- 574
- References
- 1
- FWCI
- 30.26
- Type
- journal article
- Language
- en
- Open access
- closed
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- Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Mallamo, M., Mazzone, A., Polidori, G., & Spagna, R. (2012). SIR2011: a new package for crystal structure determination and refinement. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889812001124
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