Molecule to RDKit feature suggestion

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

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

Manuel,

Thanks.  Sounds great!

Steve