Hi Vernalis folks,
I’m trying to use the Apply Transform (RDKit) node on a set of diverse input structures, with a Tanimoto threshold on attachment point similarity. However, it’s throwing an error: “Both molecules need the same number of attachments points”.
I’m afraid I don’t really know what to do with this. I expect the input structures to have a number of different attachment points. The transforms I’m generating are from the Multi-cut Fragment node (although I get the error with the fixed cut number node).
I have noticed that I don’t get the error for single cuts though. I suspect this means the similarity threshold only works for single cuts. Is this intended behaviour?