Software

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While a wide range of processing and data analysis software is now available we encourage use and support of the Cambridge-based in-house software development efforts. These are Azara written by Wayne Boucher for processing and viewing and Analysis for assignment and further data analysis written by CCPN (funded by BBSRC). Both software efforts are constantly updated and are under continuing development in interaction with the international NMR community.

In practice this means that as a NMR Facility user you might do your 1D processing using Bruker software (xwin-nmr) but for 2D and higher dimensional spectra we recommend the use of Azara, followed by the import of your spectra into Analysis.

Processing

  • AZARA – by Wayne Boucher (Cambridge)
  • NMRPipe – by Frank Delaglio (NIH)
  • Prosa – by Peter Guentert (Frankfurt)
  • Rowland NMR tools – by Mark Maciejewski (Connecticut)

Assignment and analysis

Structure prediction

Shift prediction

Structure Calculation

Structure validation

Molecular visualisation

Docking