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Janocchio

A Java applet for viewing 3D structures and calculating NMR couplings and NOEs
David A. Evans, Michael J. Bodkin, S. Richard Baker and Gary J. Sharman
Magn. Reson. Chem., 45, 595-600 (2007)

  1. Open Janocchio
    The above link will run Janocchio from a web browser.
    Allow up to five minutes for it to load. Once loaded the applet should run quickly.
    Running from a web browser should be sufficient.
    If not, and you wish to install Janocchio on your computer, go to the official download site: http://janocchio.sourceforge.net/

  2. Display a 3D structure Supported file formats: .xyz, .sd, .sdf, .mol
    File -- Open

  3. Calculate NOEs double-click the first 1H
    double-click the second 1H
    look at the value in the NOE Table

  4. Calculate 3JHH couplingsOne atom at a time, follow the bonds:
    double-click on H
    single-click on C
    single-click on C
    double-click on H
    look at the value in the "Couple Table"

  5. And more . . .
    If that fits your idea of fun(!), lots more tricks plus examples are available in the Janocchio article: Magn. Reson. Chem., 45, 595-600 (2007)