This workflow demonstrates use of some of the RDKit's 3D functionality, including 2D->3D conversion and geometry optimization.
The dataset used in this example workflow was taken from the PDB (http://www.rcsb.org/pdb/home/home.do).
- RDKit Community Nodes
- KNIME Python integration and an RDKit Python installation.
* Find more about the Examples Server here.
The link will open the workflow directly in KNIME Analytics Platform (requirements: Windows; KNIME Analytics Platform must be installed with the Installer version 3.2.0 or higher). In other cases, please use the link to a zip-archive or open the provided path manually