Ketcher node

Hi mikhail,

Was there any plans to introduce the ketcher app as a node in knime. And additionally, if this is the case, can there be an option to support manual highlighting of the sketched molecule, and the ability to sketch multiple molecules to go on separate rows in the knime table.

thanks,

simon.

Simon

If you want multiple molecules from a sketcher node at the moment, selecting a Smiles output type from the MarvinSketch node, following it with a java snippet(simple) with the following:

return $smiles$.split("\\.");

With return type set to String, and 'Array return' checked ($smiles$ is the name of your smiles column), and then an ungroup node works as a albeit slightly convoluted workaround - you will probably have to type cast the result of this as well

Steve