[gmx-developers] Gromacs python api

[Alexey Shvetsov]

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

[1] 
http://biod.pnpi.spb.ru/gitweb/?p=alexxy/gromacs.git;a=shortlog;h=refs/heads/pygromacs
[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