Please use this identifier to cite or link to this item: http://hdl.handle.net/2381/13932
Title: CING: an integrated residue-based structure validation program suite.
Authors: Doreleijers, JF
Sousa da Silva AW
Krieger, E
Nabuurs, SB
Spronk, CA
Stevens, TJ
Vranken, WF
Vriend, G
Vuister, GW
First Published: 18-Sep-2012
Citation: J BIOMOL NMR, 2012
Abstract: We present a suite of programs, named CING for Common Interface for NMR Structure Generation that provides for a residue-based, integrated validation of the structural NMR ensemble in conjunction with the experimental restraints and other input data. External validation programs and new internal validation routines compare the NMR-derived models with empirical data, measured chemical shifts, distance- and dihedral restraints and the results are visualized in a dynamic Web 2.0 report. A red-orange-green score is used for residues and restraints to direct the user to those critiques that warrant further investigation. Overall green scores below ~20 % accompanied by red scores over ~50 % are strongly indicative of poorly modelled structures. The publically accessible, secure iCing webserver ( https://nmr.le.ac.uk ) allows individual users to upload the NMR data and run a CING validation analysis.
DOI Link: 10.1007/s10858-012-9669-7
eISSN: 1573-5001
Links: http://hdl.handle.net/2381/13932
Type: Journal Article
Appears in Collections:Published Articles, Dept. of Biochemistry

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