Re: [Rdkit-discuss] Chirality wedge disappears in PNG depiction

[Jean-Marc N. <jm....@un...>]

Yes !

Cheers,

Jean-Marc


Le 27/07/2023 à 12:54, Paolo Tosco a écrit :
> from rdkit import Chem
> from rdkit.Chem.Draw import rdDepictor
> from rdkit.Chem.Draw import rdMolDraw2D
> from PIL import Image
> from io import BytesIO
> smi = "C1CC[C@H]2CCCC[C@@H]2C1"
> filenameOut = "img.png"
> mol = Chem.MolFromSmiles(smi)
> rdDepictor.SetPreferCoordGen(True)
> rdDepictor.Compute2DCoords(mol)
> d2d = rdMolDraw2D.MolDraw2DCairo(350, 300)
> dopts = d2d.drawOptions()
> dopts.baseFontSize = 0.6
> dopts.prepareMolsBeforeDrawing = False
> mol_draw = rdMolDraw2D.PrepareMolForDrawing(mol, addChiralHs=False)
> d2d.DrawMolecule(mol_draw, legend='', highlightAtoms=[])
> d2d.FinishDrawing()
> bio = BytesIO(d2d.GetDrawingText())
> draw_code = Image.open(bio)
> draw_code.save(filenameOut)
>


-- 
Jean-Marc Nuzillard
Directeur de Recherches au CNRS

Institut de Chimie Moléculaire de Reims
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