MoleKing is a python module for chemists aiming to add common principles to python. This module adds new types of python variables, MoleKing_Molecule; MoleKing_Atom; MoleKing_SupraMolecule, and MoleKing_Output, alongside many features considered common knowledge among chemists.
Add a box handler on SupraMolecule as well ass Gromacs and LAMMPS TRJ reader and LOG output process