STELLA and CLAIRE: A Seraglio of Programs for Human-Aided Assignment of 2D 1H NMR Spectra of Proteins

  • Gerard J. Kleywegt
  • Rolf Boelens
  • Robert Kaptein
Part of the NATO ASI Series book series (NSSA, volume 225)


Algorithms for the automation of the assignment of two-dimensional proton NMR spectra of proteins are presented. STELLA is a program suite for automatic, semi-automatic or manual peak-picking. CLAIRE is a software package for human-aided assignment. The programs are demonstrated using data sets pertaining to phoratoxin B, a protein consisting of 46 amino-acid residues.


Spin System Cross Peak Channel Number Cosy Spectrum Program Suite 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer Science+Business Media New York 1991

Authors and Affiliations

  • Gerard J. Kleywegt
    • 1
  • Rolf Boelens
    • 1
  • Robert Kaptein
    • 1
  1. 1.Department of Organic ChemistryUniversity of UtrechtCH UtrechtThe Netherlands

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