title: S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments.
abstract: 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 (S(3)E) 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.
authors.affiliation: National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotlárská 2, 611 37, Brno, Czech Republic.
authors.forename: Petr
authors.initials: P
authors.lastname: Novák
authors.forename: Lukás
authors.initials: L
authors.lastname: Zídek
authors.forename: Veronika
authors.initials: V
authors.lastname: Motácková
authors.forename: Petr
authors.initials: P
authors.lastname: Padrta
authors.forename: Alzbeta
authors.initials: A
authors.lastname: Svenková
authors.forename: Jean-Marc
authors.initials: JM
authors.lastname: Nuzillard
authors.forename: Libor
authors.initials: L
authors.lastname: Krásný
authors.forename: Vladimír
authors.initials: V
authors.lastname: Sklenár
mesh_terms: D001412:Bacillus subtilis / Q000201:enzymology; D012321:DNA-Directed RNA Polymerases / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D012984:Software; D014584:User-Computer Interface
chemical_list: D012321:DNA-Directed RNA Polymerases