[Rdkit-discuss] Draw mol name
Open-Source Cheminformatics and Machine Learning
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From: Bakary N't. D. <dia...@gm...> - 2018-09-16 14:04:57
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Dear all Hope you are doing well How to draw mol object with their name. With MolsToGridImage Draw.MolsToGridImage([ms[0]],molsPerRow=1,subImgSize=(200,200), legends=["test"]) The legend parameter is assigned as molecule name and is drawn. But I'd like to use Draw.MolToFile. Draw.MolToFile(ms[0], 'cdk2_mol1.pdf' , size=(300, 300), legends=["Test"], imageType="pdf") Unfortunately the legend parameter doesn't work here. I am not sure if it is possible as I can't find it in the documentation: http://www.rdkit.org/Python_Docs/rdkit.Chem.Draw-module.html#MolToFile It'd be great if someone can help me out. Thanks Best regards. -- Bakary |