S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments

• Authors: NOVÁK Petr; ŽÍDEK Lukáš; MOTÁČKOVÁ Veronika; PADRTA Petr; ŠVENKOVÁ Alžbeta; NUZILLARD Jean Marc; KRÁSNÝ Libor; SKLENÁŘ Vladimír
• Year of publication: 2010
• Type: Article in Periodical
• Magazine / Source: Journal of Biomolecular NMR
• MU Faculty or unit: Faculty of Science
• Web: http://dx.doi.org/10.1007/s10858-009-9392-1
• Field: Biochemistry
• Keywords: Software - Sparky - Residual dipolar couplings - NMR
• Description: 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.

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