Počet záznamů: 1
PAIREF
- 1.0554216 - BTÚ 2022 RIV CZ eng L4 - Software
Malý, Martin - Diederichs, K. - Dohnálek, Jan - Kolenko, Petr
PAIREF.
Interní kód: v1.2.8 ; 2021
Technické parametry: PAIREF is a Python-based program for the Computational Crystallography Toolbox available for Windows, GNU/Linux and MacOS. Graphical and command-line interfaces are provided. For structure model refinement, PAIREF supports REFMAC5 (part of the CCP4 Software Suite) and phenix.refine (part of the Phenix package). This work is co-developed with the Czech Technical University in Prague, Faculty of Nuclear Sciences and Physical Engineering, Břehová 7, Prague, IČ: 68407700
Ekonomické parametry: This project was funded by the MEYS CR (projects CAAS – CZ.02.1.01/0.0/0.0/16_019/0000778, BIOCEV – CZ.1.05/1.1.00/02.0109, and ELIBIO – CZ.02.1.01/0.0/0.0/15_003/0000447) from the ERDF fund, by the Czech science foundation (project 18-10687S), by the Czech Academy of Sciences (project 86652036), and by the GA CTU in Prague (SGS19/189/OHK4/3T/14). This work is co-developed with the Czech Technical University in Prague, Faculty of Nuclear Sciences and Physical Engineering, Břehová 7, Prague, IČ: 68407700
Grant CEP: GA MŠMT(CZ) ED1.1.00/02.0109; GA MŠMT EF15_003/0000447; GA ČR(CZ) GA18-10687S
Institucionální podpora: RVO:86652036
Klíčová slova: X-ray diffraction * structure refinement * data resolution
Obor OECD: Biochemistry and molecular biology
https://pairef.fjfi.cvut.cz/
PAIREF is a scientific program for macromolecular crystallography. It automatically estimates an optimal high-resolution cutoff, the important parameter of experimental diffraction data. The algorithm is based on the paired refinement protocol. Further details were published in the following manuscripts: M. Malý, K. Diederichs, J. Dohnálek, P. Kolenko: Paired refinement under the control of PAIREF (2020) IUCrJ 7, 681-692, M. Malý, K. Diederichs, J. Dohnálek, P. Kolenko: PAIREF: paired refinement also for Phenix users (2021) Acta Cryst. F77, 226-229.
Trvalý link: http://hdl.handle.net/11104/0328837
Vědecká data: Zenodo
Počet záznamů: 1