Re: [Rdkit-discuss] Question regarding 3D pharmacophores

2017-10-30 Thread Andy Jennings
Hi Greg, Next question on this topic, as I can't find it from digging into various sources. The solution you pointed me to works very well. I'm now expanding it to compare the 'color' between two conformations from different molecules. I cannot, however, see how to do this. Is there an option

Re: [Rdkit-discuss] Anaconda3/Jupyter - ModuleNotFoundError: No module named 'rdkit'

2017-10-30 Thread Marta Stępniewska-Dziubińska via Rdkit-discuss
You should install jupyter (and all other packages you need) in the same environment as rdkit. Also, you need to activate the environment in order to use it. Try running the following commands (assuming that you've already created my-rdkit-env): $ source activate my-rdkit-env $ conda install