Tuesday, May 10, 2016

Trying out py3DMol

I first saw 3DMol.js from Dave Koes' group at the ACS meeting in San Diego. It looked great, but I haven't had time to get back to it.

This morning Dave Tweeted about Jupyter integration for 3DMol.js and I just had to try it. This is the small experiment to see what's possible.

Unfortunately I haven't been able to make the notebook for this work in blogger. The full notebook is here: http://nbviewer.jupyter.org/github/greglandrum/rdkit_blog/blob/master/notebooks/Trying%20py3Dmol.ipynb