Molecule Format Acceptance

Hi,

With the RDKit, Indigo, and CDK chemistry nodes become more used and expanded, and often used together within a workflow, are there any plans to allow the Molecule to CDK node to accept Indigo and RDKit molecules to save on the number of translater nodes required.

Thanks,

Simon.

Hi Simon,

to the best of my knowledge, one way to improve the situation is to implement a 'getSDF' method. This way the node developers can accept all data types that implement the method and work with the SDF. Hence, explicit data type conversion would become redundant for some cases.

However, there might be some information that gets lost in some cases.

We should have a central thread in the main forum to discuss this, so that we can hopefully reach a consensus. :)

Stephan

I created a thread for this discussion here:

http://tech.knime.org/forum/knime-developers/introducing-a-knime-molecule-type