ebjerrum / rdeditor Goto Github PK

Hello, thank you for this very interesting piece of code and editor. My question is if it is possible to save the molecule in canonical smiles?

Regards

Alfredo

StereoNone and StereoTrans double bonds renders the same.

Any plans to incorporate it in a specific Knime node?

Thanks

Adding more than three single atoms when there's no bond leads to a crash of the editor, as the bond-list is empty.

So I noticed that if you use older Pyside2 versions for example 13.x.x. Bitwise operators like & and |, will cause issues like so:

TypeError: 'PySide2.QtWidgets.QMessageBox.StandardButton' object cannot be interpreted as an integer

So maybe to ensure backward compatibility ones can switch this to or

Hey,

Thank you for your repo on the rdeditor. It is really cool. Do you have any idea on how to include that into Jupyter notebooks?