molecool.draw_molecule

molecool.draw_molecule(coordinates, symbols, draw_bonds=None, save_location=None, dpi=300)

Draw a picture of a molecule.

Parameters

• coordinates (np.ndarray) – The coordinates of the molecule.

• symbols (list) – The element of each atom in the molecule.

• draw_bonds (dict, (optional)) – Bonds to draw. Bonds should be indicated in a dictionary where the indices of bonded atoms are given as the keys of the dictionary. The default is None - no bonds are drawn.

• save_location (str, (optional)) – The location to save the image

• dpi (int, (optional)) – The resolution of the saved image

Returns

ax – The axis of the plot.

Return type

matplotlib axis