S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments
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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.
KeywordsSoftware Sparky Residual dipolar couplings NMR
This work was supported by the Ministry of Education of the Czech Republic [MSM0021622413, LC06030]; and the Czech Science Foundation [204/09/0583].
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