Research Paper

Journal of Biomolecular NMR

, Volume 4, Issue 5, pp 603-614

First online:

NMR View: A computer program for the visualization and analysis of NMR data

  • Bruce A. JohnsonAffiliated withDepartment of Biophysical Chemistry, Merck Research Laboratories
  • , Richard A. BlevinsAffiliated withDepartment of Molecular Systems, Merck Research Laboratories

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Summary

NMR View is a computer program designed for the visualization and analysis of NMR data. It allows the user to interact with a practically unlimited number of 2D, 3D and 4D NMR data files. Any number of spectral windows can be displayed on the screen in any size and location. Automatic peak picking and facilitated peak analysis features are included to aid in the assignment of complex NMR spectra. NMR View provides structure analysis features and data transfer to and from structure generation programs, allowing for a tight coupling between spectral analysis and structure generation. Visual correlation between structures and spectra can be done with the Molecular Data Viewer, a molecular graphics program with bidirectional communication to NMR View. The user interface can be customized and a command language is provided to allow for the automation of various tasks.

Keywords

Proteins Resonance assignments Data analysis Software Structure determination