def draw_molecule_with_highlights(filename, smiles, highlight_atoms):
drawoptions = DrawingOptions()
drawoptions.selectColor = (255.0/255.0, 0.0/255.0, 0.0/255.0) # A nice light blue.
drawoptions.elemDict = {} # Don't color nodes based on their element.
drawoptions.bgColor=None
mol = Chem.MolFromSmiles(smiles)
fig = Draw.MolToImage(mol, highlightAtoms=highlight_atoms, size=(500, 500), options=drawoptions)
fig.save(filename, bbox_inches='tight')
def draw_molecule_with_highlights(filename, smiles, highlight_atoms):
drawoptions = DrawingOptions()
drawoptions.selectColor = highlight_color
drawoptions.elemDict = {} # Don't color nodes based on their element.
drawoptions.bgColor=None
mol = Chem.MolFromSmiles(smiles)
fig = Draw.MolToMPL(mol, highlightAtoms=highlight_atoms, size=figsize, options=drawoptions,fitImage=False)
fig.gca().set_axis_off()
fig.savefig(filename, bbox_inches='tight')
plt.close(fig)