Corrigendum: Differential geometric analysis of alterations in MH α-helices

Authors

  • B. Hischenhuber,

    1. Center for Medical Statistics; Informatics, Intelligent Systems; Section for Biosimulation and Bioinformatics; Medical University of Vienna, Vienna, Austria
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  • H. Havlicek,

    1. Faculty of Mathematics and Geoinformation, Institute of Discrete Mathematics and Geometry; Research Group for Differential Geometry and Geometric Structures; Vienna University of Technology, Vienna, Austria
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  • J. Todoric,

    1. Laboratory of Gene Regulation and Signal Transduction; Departments of Pharmacology and Pathology, School of Medicine; University of California, San Diego, USA
    2. Department of Laboratory Medicine, Medical University Vienna, Vienna, Austria
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  • S. Höllrigl-Binder,

    1. Center for Medical Statistics; Informatics, Intelligent Systems; Section for Biosimulation and Bioinformatics; Medical University of Vienna, Vienna, Austria
    2. Faculty of Mathematics and Geoinformation, Institute of Analysis and Scientific Computing; Research Group for Mathematical Modelling and Simulation; Vienna University of Technology, Vienna, Austria
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  • W. Schreiner,

    1. Center for Medical Statistics; Informatics, Intelligent Systems; Section for Biosimulation and Bioinformatics; Medical University of Vienna, Vienna, Austria
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  • B. Knapp

    Corresponding author
    1. Center for Medical Statistics; Informatics, Intelligent Systems; Section for Biosimulation and Bioinformatics; Medical University of Vienna, Vienna, Austria
    2. Department of Statistics, Protein Informatics Group; University of Oxford, Oxford, United Kingdom
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Errata

This article corrects:

  1. Differential geometric analysis of alterations in MH α-helices Volume 34, Issue 21, 1862–1879, Article first published online: 24 May 2013

Published in Journal of Computational Chemistry 2013, 34, 1862–1879; DOI: 10.1002/jcc.23328

The authors have notified us of errors in the article. The corrections are given below. We apologize for any inconvenience this may have caused.

In the initial software release, the calculation of the curvature and the torsion was done inappropriately due to a missing term resulting from a performed transformation. The software bug is corrected in the current release, which is available as Matlab source code from http://www.meduniwien.ac.at/msi/md/sourceCodes/diffParams/diffParams.htm.

This bug affects the test cases shown in the article: All curvature and torsion values depicted for the test cases are incorrect, that is, the depicted values are characteristic properties of the curves, but they do not coincide with the definition of curvature and torsion.

The correct curvature and torsion values for the test cases shown in the article can be easily reproduced using the new software release. In addition, for those readers who do not have a Matlab licence, a PDF containing the corrected test cases is available together with the source code.

In contrast, the construction of the curves, the ruled surface and its area, the distribution parameter, and the conical curvature were implemented correctly.

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