S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments
Language English Country Netherlands Media print-electronic
Document type Journal Article, Research Support, Non-U.S. Gov't
- MeSH
- Bacillus subtilis enzymology MeSH
- DNA-Directed RNA Polymerases chemistry MeSH
- Nuclear Magnetic Resonance, Biomolecular methods MeSH
- Software * MeSH
- User-Computer Interface MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- DNA-Directed RNA Polymerases MeSH
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.
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