S3EPY: a Sparky extension for determination of small scalar couplings from spin-state-selective excitation NMR experiments.
Fiche publication
Date publication
février 2010
Auteurs
Membres identifiés du Cancéropôle Est :
Dr NUZILLARD Jean-Marc
Tous les auteurs :
Novak P, Zidek L, Motackova V, Padrta P, Svenkova A, Nuzillard JM, Krasny L, Sklenar V
Lien Pubmed
Résumé
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.
Référence
J Biomol NMR. 2010 Feb;46(2):191-7