I am running a KNIME workflow from the command line. I would like to specify a different input structure file for the Molecule Reader node. How can I do this?

Running KNIME workflows from the command line is discussed in the KNIME Extensions User Manual, Chapter 4. Modifying the node settings is discussed in Section 4.3, and uses the -option feature.

Modifying the input structure file configuration of the Molecule Reader node requires the following -option format:

-option=1,DataURL/0,path-to-input,String

The first argument ("1") assumes that the Molecule Reader node is node #1 in the workflow, as discussed in Section 4.3. The second argument ("DataURL/0") is specific to this node. The third argument is the full path and name of the input structure file that you want to use as input to the node. Don't use quotes. The fourth argument ("String") indicates that a string is being supplied (the full path to the file).

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