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. 2015 Jan 28;16:23. doi: 10.1186/s12859-015-0451-1

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© Cassioli et al.; licensee BioMed Central. 2015

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Clustering of the conformations obtained by the i BP algorithm. Self-organizing maps describing the clustering of the conformations obtained by the iBP algorithm on 2JMY, 2KXA and 2KSL. The contour plots (lines) represent the local similarity between the clustered conformations. The color scales (on plot left) extend from blue to red (from very similar to very dissimilar conformations). The small red points are drawn on the SOM neuron for which the largest local similarity is observed between conformations. Each SOM neuron is colored according to the average value of the coordinates RMSD of the neuron conformations with respect to the PDB structure. The color scales extend (on plot right) from purple to green (from very similar to very dissimilar to the PDB structure). The similarity between SOM neurons as well as the RMSD to the PDB structure are expressed in Å for comparison purposes.