Atnos/Candid

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Author: Torsten Herrmann
Latest release: November 2007
Project page

Description

Atnos/Candid reads raw 2D and 3D NOESY spectra and the resonance assignment table.

This software in conjunction with Dyana or XPLOR automatically generates structure ensembles conforming the NOESY data. Provided that some requirements to input are met, acceptable for publication structure ensembles can be generated automatically whihin ~1-2 days of desktop computer time.

NOESY peaks are picked automatically by the program, most artefact peaks are recognized and discarded. Peaks are assigned and converted into distance restraint table. Distance restraints are incorporated into Dyana or XPLOR calculation and structures are thus generated.

The procedue above is repeated several times with subsequent steps using structures obtained in the previous steps to guide and refine NOESY peak assignment.

There are two features that make this program particularly robust: restraint combination and network anchoring.

References

1. Herrmann, T and Güntert, P and Wüthrich, K. Protein NMR structure determination with automated NOE-identification in the NOESY spectra using the new software ATNOS. Journal of Biomolecular NMR 24(3):171--189, 2002. BibTeX [ac02jbnmr]

2. Herrmann, T and Güuntert, P and Wüthrich, K. Protein NMR Structure Determination with Automated NOE Assignment Using the New Software CANDID and the Torsion Angle Dynamics Algorithm DYANA. Journal of Molecular Biology 319(1):209--227, 2002. BibTeX [ac02jmb]