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 py_0 conda-forge
-greg
On Tue, Feb 23, 2021 at 5:22 PM Jean-Marc Nuzillard
<jm.nuzill...@univ-reims.fr <mailto:jm.nuzill...@univ-reims.fr>> wrote:
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
<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:
AttributeError Traceback (most recent call last)
<ipython-input-4-abde4476d009> in <module>
----> 1 IPythonConsole.drawMol3D(m,confId=cids[1])
~\Anaconda3\envs\rdkit3\lib\site-packages\rdkit\Chem\Draw\IPythonConsole.py
in drawMol3D(m, view, confId, drawAs, bgColor, size)
71 size = molSize_3d
72 if view is None:
---> 73 view = py3Dmol.view(width=size[0], height=size[1])
74 view.removeAllModels()
75 try:
AttributeError: module 'py3Dmol' has no attribute 'view'
I am using a freshly installed rdkit 2020.09.4 from conda under
windows.
Is there something I can do to see the 3D structure?
Best,
Jean-Marc Nuzillard
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