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dockonsurf / modules / calculation.py @ f3004731

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# Date Auteur Commentaire
f3004731 18/05/2020 21:42 Carles Marti

Moved confs_to_mol_list function from isolated.py to formats.py module and generalised the calculations functions to be able to work with no matter which kind of calculation
fee6b1f6 11/05/2020 23:27 Carles Marti

Corrected argument of prep_iso and improved code documentation
3d6a9d3c 11/05/2020 23:14 Carles Marti

Created calculation.py module and moved prep_run from isolated.py to it