Thanks a lot!
пн, 30 нояб. 2020 г. в 11:43, Paolo Tosco :
> Hi Ivan,
>
> The RDKit supports this through the standard SDF V3000 ENDPTS and ATTACH
> keywords; see this notebook from Greg for an example:
>
>
> https://github.com/rdkit/UGM_2020/blob/master/Notebooks/Landrum_WhatsNew.ipynb
>
>
Hi Ivan,
The RDKit supports this through the standard SDF V3000 ENDPTS and ATTACH
keywords; see this notebook from Greg for an example:
https://github.com/rdkit/UGM_2020/blob/master/Notebooks/Landrum_WhatsNew.ipynb
(search for "Position variation bonds" in the notebook)
and the Biovia
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