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

被引：433

作者：

Rieping, Wolfgang

Habeck, Michael

Bardiaux, Benjamin

Bernard, Aymeric

Malliavin, Therese E.

Nilges, Michael

机构：

[1] Inst Pasteur, CNRS, URA 2185, Unite Bioinformat Struct, F-75015 Paris, France

[2] CNRS, Lab Biochim Theor, UPR 9080, Inst Biol Physicochim, F-75005 Paris, France

来源：

BIOINFORMATICS | 2007年 / 23卷 / 03期

关键词：

D O I：

10.1093/bioinformatics/btl589

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

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收藏

页码：381 / 382

页数：2

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