NMR Software Macro Library

Submission Procedure

Descrition of how to submit macros to the BMRB Macro Library

Library of NMR Software Macros

Listing of the macros available

ASCII text files containing the software macro can be submitted to BMRB. Please contact us for instructions on submission at (help@bmrb.io)

Required:

• Brief title for the processing macro.
• Suggested location or category for the macro in the library.
• Concise description of what the data processing macro is intended to provide.
• Software vendor, software product, and software version number compatible with the macro.
• A literature reference, if appropriate.
• The name(s) of the author(s) of the macro.

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 Connecticut 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. (Many of the contributors read sci.techniques.mag-resonance, so that would be a good place to post questions about macros found here.)

Processing Macros Grouped by Software Product

1. NMR Spectral Processing
   • Aurelia
   • FELIX
   • MADNMR
   • NMR pipe
   • PRONTO
   • TRIAD NMR
   • UXNMR
   • Varian
   • XWIN - NMR
2. Spectral Analysis
   • CONTRAST
3. Structure Calculations
   • X-PLOR
   • DG-II
   • DSPACE
   • DIANA
4. Spreadsheets
   • Excel
   • 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