moleculekit.bondguesser module#
- moleculekit.bondguesser.bond_grid_search(coords, grid_cutoff, is_hydrogen, radii, max_boxes=4000000.0, cutoff_incr=1.26)#
- moleculekit.bondguesser.guess_bonds(mol)#
- moleculekit.bondguesser.guess_bonds_rdkit(mol)#
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