[Rdkit-discuss] Friday pandas q

2013-10-25 Thread George Papadatos
Question to rdkit pandas users (pandaskitters?): I managed to have the mol_send(m) object in a pandas frame: [image: Inline images 1] if I do this: data['mol'].map(str).map(Chem.Mol) I get the mol in base64 PNG: [image: Inline images 2] How do I display the column as rendered images (and keep

Re: [Rdkit-discuss] Friday pandas q

2013-10-25 Thread George Papadatos
It worked! Many thanks! g On 25 October 2013 16:18, Greg Landrum greg.land...@gmail.com wrote: Hi George, Nikolas is really the expert here, but this just worked for me: curs.execute('select molregno,mol_send(m) from rdk.mols where m@ %s',('c12c1nncc2',)) d = curs.fetchall() df2 =

Re: [Rdkit-discuss] Friday pandas q

2013-10-25 Thread Nikolas Fechner
Hi George, Glad that Greg already helped you getting it working. Just to add some information: The methods RenderImagesInAllDataFrames and ChangeMoleculeRendering are related in their effects but doing slightly different things. RenderImagesInAllDataFrames is patching