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学術論文

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

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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.

要旨

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.