Ketcher Quickform node

Hi guys,

Hope the Ketcher chemical drawing quickform node is coming along well. If you need anyone to trial it and identify any bugs, I am more than happy too. I would also hope that besides implementing this as a Quickform node, that it can also be done as a normal node too like the Marvin Sketcher node.

In terms of the sketcher, the key feature I would like is being able to add multiple structures in to the sketcher so they are listed on separate rows in a KNIME table. So you add each structure into a side panel on the sketcher window, and click okay and then you have all the structures imported.

A nice to have would be the facility to add molecules with a selected atom also which can be passed on into future nodes. This is really useful having a selected atom where subsequent nodes can be used to calculate properties on this selected atom, i.e. pKa, charges etc.



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