PaDEL node

Hy ,

Is possible to align the CDK in Molecule to PaDEL node to the internal CDK lib? or fix the problem when you use padel in a workflow , everytime load the node from the CDK repository. I don't know if this can be fixed with:

Change the name of the node to -> Molecule to Padel

implement a beta release of the PaDEL- Descriptor node aligned to the last CDK lib 

thanks

fab

Hi Fab,

it should be possible. I have contacted the PaDEL developers to enquire about options. Ideally we would follow your suggestions and align both plug-ins.

I keep this thread updated with developments on that front.

Comments and suggestions welcome.

Cheers,

Stephan

I contacted the PaDEL developers about aligning their plug-in with CDK.

They will update PaDEL as soon as the next stable release of CDK has been released. That would be version 1.6 and may happen within the next few months.

There are no plans to update the plug-in until then.

I see a new PADEL update was released today but I'm not sure if it has fixed this

Hi Mark,

thanks for the update. The changelog is here:

http://padel.nus.edu.sg/software/padeldescriptor/knime/

I checked the KNIME sources for their node, it is still on CDK 1.4.15.

Cheers,

Stephan