[gmx-developers] Gromacs python api

Alexey Shvetsov alexxy at omrb.pnpi.spb.ru
Thu Feb 26 16:20:46 CET 2015

Hi all!

Me and Maks has and update to gromacs py api. Now it has full topilogy 
support, working selections, and can be usefull to writing some tools 
and/or prototyping gmx tools that should be written  in c++ if needed.
Also there is some examples using this api. Code already submitted to 
gerrit [2].

PS this code already works, however its potentialy not bug free

[2] https://gerrit.gromacs.org/#/c/4269
Best Regards,
Alexey 'Alexxy' Shvetsov, PhD
Department of Molecular and Radiation Biophysics
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Leningrad region, Gatchina, Russia
mailto:alexxyum at gmail.com
mailto:alexxy at omrb.pnpi.spb.ru

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