Implementation of Molecule path atoms in Knime

Hi All,
I am trying to implement a protocol originally developed in Pipeline Pilot into Knime. I was wondering if anyone could recommend an alternative in Knime for the function “MolPathAtoms” that is available in pipeline pilot: briefly, it should return the shortest path between atoms in a molecule by considering all the possible combinations.
Thank you

1 Like

I think that the nearest match for “MolPathAtoms” would be using a Python Script node and the RDKit function “GetShortestPath”.


Many thanks, i’ll give a try!