Number of the records: 1

PAIREF

SYSNO ASEP	0554216
Document Type	L4 - Software
R&D Document Type	Software
Title	PAIREF
Author(s)	Malý, Martin (BTO-N)_ORCID Diederichs, K. (DE) Dohnálek, Jan (BTO-N)_{RID, ORCID} Kolenko, Petr (BTO-N)_{ORCID, RID}
Year of issue	2021
Int.Code	v1.2.8
Technical parameters	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
Economic parameters	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
Owner Name	Institute of Biotechnology of the Czech Academy of Sciences
Registration Number of the result owner	86652036
License fee fee	N - Poskytovatel licence nepožaduje licenční poplatek
Internal identification code of the product assigned by its creator, Regulation no.,	L4
Language	eng - English
Country	CZ - Czech Republic
Keywords	X-ray diffraction ; structure refinement ; data resolution
Subject RIV	BO - Biophysics
OECD category	Biochemistry and molecular biology
R&D Projects	ED1.1.00/02.0109 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	EF15_003/0000447 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	GA18-10687S GA ČR - Czech Science Foundation (CSF)
Institutional support	BTO-N - RVO:86652036
Annotation	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.
Workplace	Institute of Biotechnology
Contact	Monika Kopřivová, Monika.Koprivova@ibt.cas.cz, Tel.: 325 873 700
Year of Publishing	2022
Electronic address	https://pairef.fjfi.cvut.cz/

Number of the records: 1