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AQUA and PROCHECK-NMR: Programs for Checking the Quality of Protein Structures Solved by NMR

Overview
Journal J Biomol NMR
Publisher Springer
Specialties Molecular Biology
Nuclear Medicine
Date 1996 Dec 1
PMID 9008363
Citations 2107
Authors
R A Laskowski
J A Rullmannn
M W MacArthur
R Kaptein
J M Thornton
Affiliations
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Abstract

The AQUA and PROCHECK-NMR programs provide a means of validating the geometry and restraint violations of an ensemble of protein structures solved by solution NMR. The outputs include a detailed breakdown of the restraint violations, a number of plots in PostScript format and summary statistics. These various analyses indicate both the degree of agreement of the model structures with the experimental dat, and the quality of their geometrical properties. They are intended to be of use both to support ongoing NMR structure determination and in the validation of the final results.

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