Very nice! —Eric

On Mar 28, 2019, at 4:55 AM, Thomas Evangelidis <tevang3@gmail.com> wrote:

New script and tutorial: CREATE ALL ALTERNATIVE RECEPTOR PROTONATION STATE COMBINATIONS. Useful for those that do MD, docking, or any other structure-based drug design method.

https://github.com/tevang/tutorials/tree/master/create_alternative_protonati... <https://github.com/tevang/tutorials/tree/master/create_alternative_protonations> <https://github.com/tevang/tutorials/tree/master/create_alternative_protonations> -- ====================================================================== Dr Thomas Evangelidis Research Scientist IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en> Prague, Czech Republic & CEITEC - Central European Institute of Technology <https://www.ceitec.eu/> Brno, Czech Republic

email: tevang3@gmail.com <mailto:tevang3@gmail.com> website: https://sites.google.com/site/thomasevangelidishomepage/ <https://sites.google.com/site/thomasevangelidishomepage/>

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