I am using a third party open source descripter calculator called PaDEL from the Univ. of Singapore. This requires a CDK 1.4 MoleculetoCDK node which is supplied along with the PaDEL node. The PaDEL node fails under CDK 1.5.
There is no problem until I save the workflow and reopen. Then this CDK1.4 node gets reset to the corresponding CDK 1.5 node and the workflow fails. So the workflow cannot be used in production.
Is there anyway to fix it so that this doesn't happen and the CDK1.4 MoleculetoCDK node gets loaded on reopening?
I don't think there is an easy and good way around this. In theory, PaDEL and KNIME-CDK shouldn't use different versions of CDK but that's unfortunately how it is for now. I will try to resolve this issue with the next major version of CDK.
If the current situation is very inconvenient for you, you could remove KNIME-CDK and carry on with PaDEL alone for now.