We've done a first block of updates to the RDKit nodes to add some previously requested features and make some general improvements.
Here's a partial list of changes that are now available in the nightly builds of the RDKit nodes:
- Descriptor calculator supports MQN descriptors
- Descriptor calcualtor supports a number of constitutional descriptors: FractionCSP3, NumAromaticRings, NumAromaticHeterocycles, etc.
- Fingerprint calculator supports MACCS fingerprints
- Reaction nodes support removal of duplicate products
- Binaries updated to 2013_03_2 version of the RDKit
More will be coming in the next weeks,