rdkit.Chem.Draw - Handle Molecule Images

Cheminformatics Tutorials - Herong's Tutorial Examples

∟rdkit.Chem.Draw - Handle Molecule Images

This chapter provides introductions and tutorial examples on rdkit.Chem.Draw module. Topics include introduction of rdkit.Chem.rdDepictor module; module methods to get molecule images quickly; sub-modules to draw molecule images with better controls.

What Is rdkit.Chem.Draw Module

MolToImage/MolToFile - Molecule PNG Image

rdkit.Chem.Draw.MolDrawing.DrawingOptions Class

rdkirdkit.Chem.Draw.rdMolDraw2D.MolDraw2DCairo - 2D Molecule Drawing

rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DCairo - Molecule PNG Image

rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DSVG - Molecule SVG Image

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

Drawing Diagrams with MolDraw2DCairo and MolDraw2DSVG

Takeaways:

rdkit.Chem.Draw module of the RDKit library provides functionalities to create molecule images in different formats as displaying images, internal objects, or external files.
rdkit.Chem.Draw.MolToImage(m) is the quickest way to create a molecule image in PNG format.
rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DCairo class allows you to create molecule raster images in PNG format with drawing options.
rdkit.Chem.Draw.rdMolDraw2D.MolDraw2DSVG class allows you to create molecule vector images in SVG format with drawing options.
d.DrawRect(), d.DrawLine() and similar methods allow you to put additional graphical elements on molecule images.