I wanted to generate a KNIME workflow that reads in multiple sd files, calculates some similarity and writes out new sd files.
I started this with a "List Files" node, that gets all the files I need. Then I attached a "TableRow To Variable" node, which is connected to an "SDF Reader" node.
Afterwards, I compare the sd file with a SMILES code ("SMILES input" node) using the "Most Similar Molecule(s)" node (MOE node). The output is linked to an SDF Writer. Additionally I connected the "Most Similar Molecule(s)" node with the "Java Edit Variable (simple)" node to get a proper name for the output file --> this node is also connected to the "SDF Writer", via Flow Variable Ports.
Until this part everything works fine - so if I only would have one SD file I would have no problem.
However, I attached the "Most Similar Molecule(s)" node to a "Loop End" node and also connected the "SDF Writer" via Flow Variable ports with the "Loop End".
Now, when I want to execute the workflow, I always get the error mesage: "Encountered loop-end without corresponding head!
I already tried different loop ends: "Loop End (Column Append)", "Variable Loop End" - but nothing works.
Thank you, Freya