EuroCarbDB · Applications · Tools to process and analyse NMR spectra
:: DKFZ :: Bijvoet Center :: back ::

Tools to process and analyse NMR spectra

ProSpectND

ProSpectND is an advanced integrated NMR data processing and inspection tool. It was designed  to be able to handle n-Dimensional NMR spectra. The underlying storage engine handles n-dimensional data using a sub-matrix algorithm for efficient data access in any dimension. The implementation in the GUI, however, is capable of handling 1D, 2D and 3D NMR spectra. ProSpectND can input raw NMR data from Varian and Bruker instruments (both from AC/AM-type spectrometers and from the latest generation of instruments).

ProSpectND is available in source code and with binaries for Linux and MS-Windows. A test version is now also available for Mac-OSX. A C-API, GenPlot, used in ProSpectND is available as well. The Linux and OSX versions require the Open Motif libraries to be installed. We also provide you with some sample data that can be installed in the same directory as the program code.

Note we now have a CD available with the ProSpectND binaries, the source and some sample data and the html based manual.

The Windows binary does also seem to work under WINE. and/or the commercial distribution 'CrossOver Office' by CodeWeavers. This make it possible to use ProSpectND under Mac OS-X, Sun Solaris and FreeBSD as well.

ProSpectND is flexible in its use due to its dedicated scrtipting facility, that allows to interact with the NMR data at all levels. A script is available to convert the processed NMR spectra to be inputted in to the CCPN NMR analysis and assignment tool


CCPN tools

The EuroCarbDB team is actively collaborating with the CCPN project. Currently, carbohyadrates are being implemented as a separate class of molecules known in to the CCPN software. Once the implementation has been completed all software developed using the CCPN framework can be used for carbohydrate NMR data as well.
The programme that will be most valuable is the 'CCPN analysis' package that is an excellent tool to do the assigment book-keeping.

EuroCarbDB is a Research Infrastructure Design Study Funded by the 6th Research Framework Program of the European Union
(Contract: RIDS Contract number 011952)