Molecule to RDKit feature suggestion

Community Extensions
1

This is a minor suggestion, but could the output table containing the Erroneous Input Date (out1) optionally(?) add a column describing the error (similar to is provided in the console during execution - e.g. "AbstractRDKitCellFactory     Empty cell in...", "Failed to process data due to MolSanitizeExceptionSDF.", "Failed to process data due to GenericRDKitExceptionSDF"

Thanks

Steve

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Dear Steve,

 

thanks for this suggestion. The error column could in this case just contain the Exception name, e.g. "MolSanitizeExceptionSDF" followed by details, if available. I think this makes sense and could be done without too much effort. 

 

I will put it on the list for further enhencements to be discussed internally.

 

Kind regards,

Manuel Schwarze

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Manuel,

Thanks.  Sounds great!

Steve

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