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.