Re: [Rdkit-discuss] ETKDG in rdkit-blog

2021-02-23 Thread Jean-Marc Nuzillard
Hi Greg, Sure, it works better with py3dmol installed... Many thanks ! Jean-Marc Le 23/02/2021 à 18:15, Greg Landrum a écrit : Hi Jean-Marc, Hmm, which version of py3dmol do you have installed? I have v0.8.0: $ conda list | grep 3dmol py3dmol                   0.8.0                

Re: [Rdkit-discuss] ETKDG in rdkit-blog

2021-02-23 Thread Greg Landrum
Hi Jean-Marc, Hmm, which version of py3dmol do you have installed? I have v0.8.0: $ conda list | grep 3dmol py3dmol 0.8.0 py_0conda-forge -greg On Tue, Feb 23, 2021 at 5:22 PM Jean-Marc Nuzillard < jm.nuzill...@univ-reims.fr> wrote: > Dear all, > >

[Rdkit-discuss] ETKDG in rdkit-blog

2021-02-23 Thread Jean-Marc Nuzillard
Dear all, I tried to reproduce the workflow in the recent blog post by Greg https://greglandrum.github.io/rdkit-blog/conformers/exploration/2021/02/22/etkdg-and-distance-constraints.html and everything was running fine up to IPythonConsole.drawMol3D(m,confId=cids[1]) that returned: