Hi there,
I don't know if this is possible, but can the open source CDK SD file importer be altered to allow for extraction of accompanying data in the SDF file, similar to that done by the TRIPOS KNIME SD file reader node?
Thanks for a great package.
stanage
Hi stanage,
we have an experimental node doing this extraction of data as a separate step (meaning that you would need to connect the outcome of the SD reader to this node). This node is unfortunately not in the release (mainly because it has been poorly tested). If you don't mind I would send you this node via a private message. (I see two benefits: it gives you the functionality and it gives us one more beta-tester :wink: )
We should have that node in the next release.
Regards
Bernd