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© Research
Publication : Bioinformatics (Oxford, England)

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

Team: Structural Bioinformatics
Team: Functional dynamics
Member: Benjamin Bardiaux
Member: Michael Nilges
Member: Thérèse Malliavin
Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Bioinformatics (Oxford, England) - 22 Nov 2006

Rieping W, Habeck M, Bardiaux B, Bernard A, Malliavin TE, Nilges M

Link to Pubmed [PMID] – 17121777

Bioinformatics 2007 Feb;23(3):381-2

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.