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ARIA2: automated NOE assignment and data integration in NMR structure calculation

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons83949

Habeck,  M
Department Empirical Inference, Max Planck Institute for Biological Cybernetics, Max Planck Society;

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Zitation

Rieping, W., Habeck, M., Bardiaux B, Bernard A, Malliavin, T., & Nilges, M. (2007). ARIA2: automated NOE assignment and data integration in NMR structure calculation. Bioinformatics, 23(3), 381-382. doi:10.1093/bioinformatics/btl589.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0013-CE9B-A
Zusammenfassung
Modern structural genomics projects demand for integrated methods for the interpretation and storage of nuclear magnetic resonance (NMR) data. Here we present version 2.1 of our program ARIA (Ambiguous Restraints for Iterative Assignment) for automated assignment of nuclear Overhauser enhancement (NOE) data and NMR structure calculation. We report on recent developments, most notably a graphical user interface, and the incorporation of the object-oriented data model of the Collaborative Computing Project for NMR (CCPN). The CCPN data model defines a storage model for NMR data, which greatly facilitates the transfer of data between different NMR software packages.