rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions

Cheminformatics Tutorials - Herong's Tutorial Examples

∟rdkit.Chem.Draw - Handle Molecule Images

∟rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions - Drawing Options

This section provides a quick introduction on the rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions class, which represents a set of 2D molecule drawing options.

What Is rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions? - rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions is a special class representing a set of 2D molecule drawing options.

MolDrawOptions can be used to control drawing behaviors of MolDraw2DImage and MolDraw2DSVG class as shown below in a Jupyter Notebook session:

from rdkit.Chem.Draw import rdMolDraw2D
from rdkit import Chem

mol = Chem.MolFromSmiles('Cc1ccccc1')
d = rdMolDraw2D.MolDraw2DCairo(300, 300)

s = d.drawOptions()
s.addAtomIndices = True
s.bondLineWidth = 6

d.DrawMolecule(mol)
d.FinishDrawing()
p = d.GetDrawingText()

import IPython.display
i = IPython.display.Image(p)
display(i)

rdkit.Chem.Draw.rdMolDraw2D.MolDrawOptions Class

Here is another example of changing molecule drawing options with the rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DSVG class.

from rdkit.Chem.Draw import rdMolDraw2D
from rdkit import Chem

mol = Chem.MolFromSmiles('Cc1ccccc1')
d = rdMolDraw2D.MolDraw2DSVG(200, 200)

s = d.drawOptions()
s.addAtomIndices = True
s.bondLineWidth = 6

d.DrawMolecule(mol)
d.FinishDrawing()
p = d.GetDrawingText()

import IPython.display
i = IPython.display.SVG(p)
display(i)