SDF Extractor node

KNIME Analytics Platform
1

Hi,

As a feature request, is it possible to add the functionality to extract the molecule name from an SDF cell to the SDF extractor node? As far as I can see it is only possible to extract properties, please let me know if I've missed something.

At the moment I'm using the MOE 'Molecule Extract Name' node which works fine, but it seems like this should be part of core KNIME chemistry, and would mirror the functionality in the 'SDF Inserter' node better.

Thanks

Dave

 

2

Hi Dave, 

Good catch, I've logged that request.  Just FYI you can get the molecule name from the SDF Reader if that is how you are getting your SDF data into KNIME.

Regards,

Aaron