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

J Biomol NMR. 2010 Feb;46(2):191-7. doi: 10.1007/s10858-009-9392-1. Epub 2009 Dec 12.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bacillus subtilis / enzymology
  • DNA-Directed RNA Polymerases / chemistry
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Software*
  • User-Computer Interface

Substances

  • DNA-Directed RNA Polymerases