RDKit One Component Reaction

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1

Hi at all,

I'm trying to use the RDKit One Component Reaction-node within the Variables Loop (Data)-node. I have a list of molecules, and reaction smiles as variables. The RDKit One Component Reaction-node works as long as it is disconnected to the Loop End-node. When I connect the nodes knime gives me the warning "WARN      RDKit One Component Reaction     reaction should only have one reactant, it has: 2" although I have only one reactant. So I tried the RDKit Two Component Reaction-node. It also works as long as it is disconnected to the Loop End-node and when I connect both nodes I receive the warning "WARN      RDKit Two Component Reaction     reaction should only have two reactants, it has: 1"

I don't know what I am doing wrong :S

Thanks for your help

jada

2

Could you send me (Thorsten.Meinl@uni-konstanz.de) a small workflow that demonstrates your problem?

3

sent it. thanks a lot

greetz

janette

4

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