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

Wolfgang Rieping·Michael Habeck·Benjamin Bardiaux·Aymeric Bernard·Thérèse E Malliavin·Michael Nilges
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Abstract

UNLABELLED: 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. AVAILABILITY: A distribution with the source code of ARIA 2.1 is freely available at http://www.pasteur.fr/recherche/unites/Binfs/aria2.

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AlgorithmsBiopolymersComputer GraphicsDatabase Management SystemsDatabases, FactualInformation Storage and RetrievalMagnetic Resonance SpectroscopyMolecular ConformationProgramming LanguagesSoftwareUser-Computer InterfaceJournal ArticleResearch Support, Non-U.S. Gov't

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Wolfgang Rieping, Michael Habeck, Benjamin Bardiaux, Aymeric Bernard, Thérèse E Malliavin, Michael Nilges. 2006-11-22. ARIA2: automated NOE assignment and data integration in NMR structure calculation.. https://doi.org/10.1093/bioinformatics%2Fbtl589

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