| <?xml version="1.0" encoding="UTF-8"?> |
| <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
| <pkgmetadata> |
| <herd>sci-chemistry</herd> |
| <maintainer> |
| <email>jlec@gentoo.org</email> |
| </maintainer> |
| <longdescription> |
| Nmrglue has the ability to read, write and convert between a number of NMR file |
| formats including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, Rowland NMR |
| Toolkit files. The files, which are represented in Python as dictionaries of |
| spectral parameters and NumPy ndarray objects, can be easily examined, modified |
| and processed as desired. |
| |
| Nmrglue provides a number of functions for processing NMR data such as |
| apodization, spectral shifting, Fourier and other transformations, baseline |
| smoothing and flattening, and linear prediction modeling and extrapolation. |
| In addition new processing schemes can be implemented easily using the nmrglue |
| provided functions and the multitude of numerical routines provided by the NumPy |
| and SciPy packages. |
| |
| When used in conjunction with the matplotlib (or other) python plotting library |
| nmrglue can be used to create publication quality figures of NMR spectrum or |
| examine data interactively. |
| </longdescription> |
| <upstream> |
| <remote-id type="github">jjhelmus/nmrglue</remote-id> |
| </upstream> |
| </pkgmetadata> |
