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


BACKGROUND
A distribution with the source code of ARIA 2.1 is freely available at http://www.pasteur.fr/recherche/unites/Binfs/aria2.
Rieping
Wolfgang
W
Unité de Bioinformatique structurale, CNRS URA 2185, Institut Pasteur, 25-28 rue du docteur Roux, 75015 Paris, France.
Habeck
Michael
M
Bardiaux
Benjamin
B
Bernard
Aymeric
A
Malliavin
Thérèse E
TE
Nilges
Michael
M
D000465:Algorithms; D001704:Biopolymers / Q000737:chemistry*; D003196:Computer Graphics; D003628:Database Management Systems; D016208:Databases, Factual; D016247:Information Storage and Retrieval / Q000379:methods*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008968:Molecular Conformation; D011381:Programming Languages; D012984:Software; D014584:User-Computer Interface
D001704:Biopolymers