I updated in the KNIME Nightly Build the RDKit binaries of the RDkit nodes to the latest version 2015_03_1 that Greg Landrum has released recently. Major changes are:
- Major change in SMILES canonicalization algorithm, which may require to recalculate intermediate results of canonicalized SMILES.
- Performance and memory footprint improvements
- More details can be found here: https://github.com/rdkit/rdkit/releases/tag/Release_2015_03_1
Please test it... And as always: We appreciate your feedback and ideas!
Thanks for using RDKit :-)