Nmrglue: an open source Python package for the analysis of multidimensional NMR data.

ABSTRACT: Nmrglue, an open source Python package for working with multidimensional NMR data, is described. When used in combination with other Python scientific libraries, nmrglue provides a highly flexible and robust environment for spectral processing, analysis and visualization and includes a number of common utilities such as linear prediction, peak picking and lineshape fitting. The package also enables existing NMR software programs to be readily tied together, currently facilitating the reading, writing and conversion of data stored in Bruker, Agilent/Varian, NMRPipe, Sparky, SIMPSON, and Rowland NMR Toolkit file formats. In addition to standard applications, the versatility offered by nmrglue makes the package particularly suitable for tasks that include manipulating raw spectrometer data fi

SUBMITTER: Helmus JJ 

PROVIDER: S-EPMC3636164 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature