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. 2015 Oct 1;8:517. doi: 10.1186/s13104-015-1483-3

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© Chaudhari and Li. 2015

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. 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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Fig. 2 — a PyMine data integration panel with functional tabs. b PyMOL window showing receptor in green, ligand in yellow, binding site in red, and SAVs in ball and stick style. On right hand side, an expandable list of binding sites selections. c Output directory and files