[gmx-developers] Gromacs python api

[Alexey Shvetsov]

Hi all!

It seems that all changes needed for C++ part was already merged to 
master branch. So now all code lives in src/python [1]. This python part 
works with python 3 (at least with 3.2 3.3 3.4 and 3.5) and sip 4.15+.

Batch processing will be submited as separate patch.

Can someone take a look at Python bindings?

[1] 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