Calculate Net Charge with Calculator Plugins

Hi,

Is it possible to calculate net charge with the Knime Income calculator plugins? I want to calculate over a large data set and the existing output is a structure containing all the individual micro species. is there a way to obtain just one value without the structure?

Thanks

Hi, 

You should use the formalCharge() Chemical Terms function to evaluate the formal charge of a molecule. Use a Chemical Terms node for batch processing.

Best regards, 

Daniel