Re: [Rdkit-discuss] Display Molecules within IPython Console

Hi Greg, Draw.ShowMol(m) works perfectly and even works in a loop to view multiple molecules (one at a time). thanks! Hi Ivan, thanks for the terminal graphics code example. I think the ASCII art structures are fun and useful. I've used that in Open Babel before to quickly view molecules.

Re: [Rdkit-discuss] Display Molecules within IPython Console

Hi Vin, If you are running the IPython console on a terminal emulator that supports graphics, you could display the molecule by printing out the necessary terminal escape codes followed by the image buffer. The solution is terminal-specific; here's an example that works using the Kitty terminal:

Re: [Rdkit-discuss] Display Molecules within IPython Console

Hi Vin, I added something a long time ago which still seems to work: Draw.ShowMol: In [3]: from rdkit.Chem import Draw In [4]: Draw.ShowMol(m) That, for me at least, opens a window with an image of the molecule. It's using tkinter, so it should work on all three supported operating systems.

[Rdkit-discuss] Display Molecules within IPython Console

Hello, Is it possible to display a molecule image directly in an IPython console (not a Jupyter Notebook)? Or maybe I need to send the image file directly to my image viewer? I would like to be able to quickly view the molecules without using a Jupyter Notebook or having to save the PNGs. For

[Rdkit-discuss] Embedding planar ring with Hs

Hello all, I am having some difficulty embedding a few SMILES strings that all correspond to planar structures e.g. ["C1C2OC3C1C23", "C1CC2CCC12", "C1C2C3NC2C13", "O1C2C3OC2C13", "C1C2CC3C1C23", "C1C2CC3C1N23", "N1C2C3OC2C13", "C1OC2CNC12"] When I embed the SMILES strings without Hs, all is ok: