RDKit Calculate Charges

Calculates Gasteiger charges for all atoms of a molecule. The charges are computed using an iterative procedure presented in J. Gasteiger, M. Marseli: Iterative Equalization of Orbital Electronegativity - A Rapid Access to Atomic Charges, Tetrahedron Vol 36 p3219 1980

Input ports

1. Type: Table
   Input table with RDKit molecules
   Input table with RDKit Molecules.

Output ports

1. Type: Table
   Result table
   Table with calculated Gasteiger charges.