[gmx-developers] Python interface for Gromacs

Sébastien Buchoux sebastien.buchoux at u-picardie.fr
Thu Sep 9 16:40:33 CEST 2010


On 09/09/2010 09:25 AM, Teemu Murtola wrote:
>  I have a significant amount of code semi-ready to allow all of these
>  to happen, but it will probably take a month or two to finish that,
>  once post-4.5 development really starts.  I think that it would be
>  most productive to write the Python interface for this new
>  framework, which would potentially then allow all analysis tools to
>  be used from Python once they have been converted.

This is the main reason why I sent my first email to this list before 
digging deeper.
I would be glad to give a hand.


-- 
Sébastien Buchoux, MC
UMR 6022 - Génie Enzymatique et Cellulaire / Enzyme and Cell Engineering
Université Picardie Jules Verne (UPJV)
33, rue Saint Leu, 80000 Amiens, France
tel: +33(0)3 22 82 74 73 - email: sebastien.buchoux[at]u-picardie.fr





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