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Core concepts

by Wim Vranken last modified 2006-09-22 14:45

General concepts behind CcpNmr FormatConverter

Overview

The FormatConverter is a package of scripts that allow import and export of existing NMR and related data formats into the CCP Data Model. It can also read/write/edit NMR acquisition and processing parameters/scripts. It is written in Python and originally developed by Wim Vranken (Molecular Structure Database group, European Bioinformatics Institute).

Then FormatConverter package can be accessed by individual Python function calls or from a GUI. All code is subject to the LGPL license, and is freely available.

Development

Particular thanks with regard to development go to Wayne Boucher (who provided much of the GUI code and for discussions), Rasmus Fogh (for discussions and Data Modelling), Aart Nederveen (for extensive testing), Jurgen Doreleijers (for providing his Python STAR reader/writer), and Peter Guentert (for allowing the use of his CYANA library). The reference data used within CCP and this package is based on the internal MSD database and to reference information from AQUA and the BMRB.


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