How to draw reactions in black/white or gray scale?

[ddsneo4j]

Hi,

I have only found an example on how to draw structures with RdKit in black white, but have not been able to find
any method to draw reactions (rxn object) in black/white or gray scale.

Any help on this would be highly appreciated.

Thanks,
Dan

[vfscalfani]

Hi @ddsneo4j , try something like this and see if it is what you were looking for. The key piece is to set the drawOptions().useBWAtomPalette() option:

rxn_smi = "CCCCO.Br>>CCCCBr.O"
drawer = rdMolDraw2D.MolDraw2DCairo(900,300)
drawer.drawOptions().useBWAtomPalette()
drawer.DrawReaction(rdChemReactions.ReactionFromSmarts(rxn_smi, useSmiles=True))
drawer.FinishDrawing()
bio = io.BytesIO(drawer.GetDrawingText())
Image.open(bio)

Hope it helps.

Vin

[ddsneo4j]

Thanks, that works!