BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

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Library of NMR Software

Disclaimer

Users of data processing macros available from this library employ them at their own risk. Individuals or affiliated organizations who provide software macros for distribution from this library are not legally or otherwise liable, responsible, or accountable for physical damage or any other damage incurred by those who use a program macro taken from this library. Neither BioMagResBank nor the University of Wisconsin are liable for any physical or other damage incurred during the use of a program macro or other information obtained from this library.

The data processing macros found in this library are provided "as is" for your information. They have NOT been tested and no guarantee as to their accuracy or their functionality is given or implied. NO support for the use of these processing macros is provided by BMRB or those who submit a program macro.

If you have a macro that you would like to post here, please see the Submission Procedure.

Software for calculating NMR experiment parameters
  1. Pulse lengths
Processing Macros Grouped by Software Product
  1. NMR Spectral Processing
    • Aurelia
    • FELIX
    • MADNMR
    • NMR pipe - Creates the conversion file for Bruker Avance data to NMRPipe format for off-line processing
    • PRONTO
    • TRIAD NMR
    • UXNMR
    • Varian
    • XWIN - NMR

  2. Spectral Analysis
    • CONTRAST - Sample CONTRAST input spectrum and sequence files

  3. Structure Calculations
  4. Spreadsheets
    • Excel - Indirect referencing of 13C/15N from 1H reference compound
    • Quattro Pro


Content Outline for the Spectral Processing Macros
  1. One-dimensional spectra
    1. Kinetic studies
    2. Digital Filtering

  2. Two-dimensional spectra
    1. "Standard" processing
    2. Forward linear-prediction
    3. Back calculation of first points by linear-prediction
    4. "Mirror image linear-prediction
    5. Echo anti-echo data processing
    6. Spectral Phasing
    7. Digital Filtering

  3. Three-dimensional spectra
    1. Strip plot generator

  4. Four-dimensional spectra

  5. Others

  6. Reference List