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 CNRS UMR 7312 Moulin de la Housse CPCBAI, Bâtiment 18 BP 1039 51687 REIMS Cedex 2 France ORCID : 0000-0002-5120-2556 Tel : +33 (0)3 26 91 82 10 http://www.univ-reims.fr/icmr https://nuzillard.github.io/PyLSD
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