Software

• Bruker NMR Suite 2.5: Processing of 1, 2 or 3D NMR data. Available on DPX300 and DRX500 spectrometers and on the external UNIX workstations
• Felix 2000: Allows Spectrum processing and assignment, in particular prepariong NOE restraints for structure calculations (MSI)
• MestRe-C:Free PC based spectrum processing (1D and 2D)
  Download here
• SpecMan, NMRSAMS and NMRScape: Peak assignment and structure elucication, in particular organic molecules, and ¹³C chemical shift calculation
• Aria1.2 software for automated NOE assignment and NMR structure calculation Local Web Interface
• X-Plor 3.8: Used for Molecular structure calculation from NMR data
• CNS: Crystallography and NMR System: Molecular Structure and Dynamics Calculation based on XPLOR
  Local Web interface
• MolMol 2K.1: Molecular Analysis and Molecular Display Program
• PROCHECK Protein Structure Check
• Demo Version of the Online Instrument Reservation

NMR lab software collection

Useful Links

• AMMRL home page: Association of Managers of Magnetic Resonance Laboratories (Mailing List Archive)
• Biotech Validation Suite for Protein Structures : Quality check of Protein structures
• BioMagResBank: Protein and DNA Chemical shift library
• Bruker
• NMR Information Server from Spincore
• NMR Knowledge base (Now: Spectroscopy now)
• Spectral Data Base System for Organic Compounds (NIMC, Tsukuba, Japan)
  Contains ~13,000 ¹H and ¹³C NMR spectra and 47,000 IR spectra of organic compounds.
• Spectra Online
  Registration required
• Web COCON: Program to obtain 2D structures from COSY and HMBC data
• Web-spectra - on line problem sets
• Generalized Karplus calculator
• Vicinal proton-proton coupling constants using Haasnoot-Altona substiturnt parameters