Jan, I think this is the same issue you ran into in your example colab? On Mon, Nov 4, 2019 at 2:03 PM Markus Heller <mhel...@admarebio.com> wrote:
> 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 <(604)%20827-1122> Main: 604.827.1147 > <(604)%20827-1147> > > > > [image: 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. > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
