ctab23D is missing
alexgcsa opened this issue · 1 comments
alexgcsa commented
Hello,
When I try to run the example, I get the error:
AttributeError: 'Client' object has no attribute 'ctab23D'
Is there a way to calculate the 3D molecule structure ?
Thanks,
Alex
eloyfelix commented
Hello Alex, the functionality was deprecated since our logs showed no use of it for a long time. Sorry for the inconvenience.
RDKit could be used to generate 3D conformers of molecules. This blogpost show some example code of how to do it: https://iwatobipen.wordpress.com/2021/01/31/generate-conformers-script-with-rdkit-rdkit-chemoinformatics/