Hi, In a Jupyter notebook, the following code does not show renderings of the molecules in a Pandas dataframe:
<code> from rdkit import Chem from rdkit.Chem import PandasTools from rdkit.Chem.Draw import MolsToGridImage from rdkit.Chem.Draw import IPythonConsole from rdkit.Chem import rdDepictor rdDepictor.SetPreferCoordGen(True) IPythonConsole.ipython_useSVG = True test_df = pd.read_csv('test.smi', delim_whitespace=True, header=None, names=['smiles', 'id']) PandasTools.RenderImagesInAllDataFrames(images=True) PandasTools.AddMoleculeColumnToFrame(test_df, 'smiles', 'mol', includeFingerprints=False) test_df </code> Instead, string representations are shown (I think), i.e. every field in the mol column starts with <img src="data:image/png;base64..." As far as I understand the documentation, PandasTools.RenderImagesInAllDataFrames(images=True) should show the rendered molecules. What am I doing wrong? I'm using RDkit version 2019.03.4.0 via Anaconda. Thanks Markus -- Markus Heller, PhD Senior Scientist Direct: 604.827.1122 Main: 604.827.1147 [A027228F] 2405 Wesbrook Mall, 4th Floor, Vancouver, BC V6T 1Z3 This email and any attachments thereto may contain confidential material for the sole use of the intended recipient. Any review, copying, or distribution of this email (or any attachments thereto) by others is strictly prohibited. If you are not the intended recipient, please contact the sender immediately and permanently delete the original and any copies of this email and any attachments thereto.
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