Two New Features Added To RDKit Nodes

Dear All,

I just updated the RDKit Nodes Nightly Build with two new features you may want to try out:

  • Added new TreatAsQuery option to RDKit From Molecule node.
  • Added new RDKit Highlighting node, which offers more sophisticated highlighting of atoms and also bonds. You can define multiple atom and bond index lists (in columns) and assign different colors to these lists for highlighting. You also have the option to include the "neighborhood" in the highlighting process (for atoms this means that also bonds between two highlighted atoms are highlighted as well, and for bonds this means that atoms around a highlighted bond are hightlighted as well).
  • Deprecated RDKit Highlighting Atoms node. Old workflows will still run, but you cannot use it anymore in new workflows - use the new RDKit Highlighting node instead.

Please let me know if you encounter any issues or find something unexpected when using the new features. Enjoy!

Kind regards,
Manuel Schwarze