Calculate formal charge

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1

Hi, 

Is there a simple node that can calculate the formal charge of compounds? 

I can see that I can calculate pretty much everything else, but I can't do a simple "Num_negativeatoms + num_positiveatoms" in a compound to get the overall charge.

 

Any help welcomed

 

thanks

 

Louisa

2

Hi Louisa,

you can find a formal charge descriptor in CDK's Molecular Properties node. Added recently and available in the nightly build.

Stephan