HI,
I did draw sodium hexaflourophosphate (using marvin) and saved the structure as molfile. I have a very simple knime workflow. The workflow consist of a molfile reader node and a rdkit 'RDKit From Molecule' node. The readmolfile node has no problems to read the molfile. The rdkit ,RDKit From Molecule' node can not read the molfile (i.e. the structure ends up in the 'Erroneous input data' output port. The structure is drawn correct i.e. positive charge on sodium, negative charge on the phosphor atom. The molfile is attached to the mail. Any idea why rdkit has problems with reading this molfile ? Any feedback or clarification is appreciated. Best Hans-Juergen
sodium_hexaflourophosphate.mol
Description: Binary data
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