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S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments
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SYSNO ASEP 0340850 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments Author(s) Novák, P. (CZ)
Žídek, L. (CZ)
Motáčková, V. (CZ)
Padrta, P. (CZ)
Švenková, Alžběta (MBU-M)
Nuzillard, J.-M. (FR)
Krásný, Libor (MBU-M) RID, ORCID
Sklenář, V. (CZ)Source Title Journal of Biomolecular NMR - ISSN 0925-2738
Roč. 46, č. 2 (2010), s. 191-197Number of pages 7 s. Language eng - English Country NL - Netherlands Keywords Software ; Sparky ; Residual dipolar couplings Subject RIV EE - Microbiology, Virology R&D Projects GA204/09/0583 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z50200510 - MBU-M (2005-2011) UT WOS 000274088200006 DOI 10.1007/s10858-009-9392-1 Annotation S3EPY is a Python extension to the program Sparky written to facilitate the assessment of coupling constants from in-phase/antiphase and spin-state-selective excitation (S3E) experiments. It enables the routine use of small scalar couplings by automating the coupling evaluation procedure. S3EPY provides an integrated graphical user interface to programs which outputs graphs and the table of determined couplings Workplace Institute of Microbiology Contact Eliška Spurná, eliska.spurna@biomed.cas.cz, Tel.: 241 062 231 Year of Publishing 2010
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