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.

1. Pulse lengths
   • calc

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
   • X-PLOR
     • Perl script to tabulate sizes and frequencies of constraint violations in X-PLOR
       
     • X-PLOR to IUPAC proton nomenclature conversion
   • DG-II
   • DSPACE
   • DIANA
   
   
4. Spreadsheets
   • Excel - Indirect referencing of 13C/15N from 1H reference compound
   • Quattro Pro

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