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aqua

A suite of programs for Analyzing the QUAlity of biomolecular structures that were determined via NMR spectroscopy.

Ton Rullmann and Jurgen Doreleijers
NMR Spectroscopy Group
Bijvoet Center for Biomolecular Research, Utrecht University, The Netherlands.

Details

Optaining AQUA

To optain AQUA please download the license agreement and mail or fax the signed form to:

    Prof. Dr. R. Boelens
    Department of NMR Spectroscopy - Bijvoet Center for Biomolecular Research
    Utrecht University
    Padualaan 8
    3584 CH Utrecht
    The Netherlands
    Fax: +31 30 2537623
    Email : boelens@nmr.chem.uu.nl

References:

  • R.A. Laskowski, J.A.C. Rullmann, M.W. MacArthur, R. Kaptein and J.M. Thornton, "AQUA and PROCHECK-NMR: Programs for checking the quality of protein structures solved by NMR", J. Biomol. NMR 8 (1996) 477-486.
  • J.F. Doreleijers, J.A.C. Rullmann and R. Kaptein, "Quality Assessment of NMR Structures: a Statistical Survey", J. Mol. Biol. 281 (1998) 149-164.
  • J.F. Doreleijers, G. Vriend, M.L. Raves and R. Kaptein, "Validation of NMR Structures of Proteins and Nucleic Acids: Proton Geometry and Nomenclature", Proteins: Structure, Function, and Genetics 37 (1999) 404-416