Charge models ============= Insert text here. .. INSERT AUTOMATICALLY GENERATED CONTENT BELOW Cheminformatics charge models ----------------------------- .. rubric:: Assign Gasteiger-Marsili sigma partial charges (gasteiger) .. rubric:: Assign MMFF94 partial charges (mmff94) Special charge models --------------------- .. rubric:: Assign Electronegativity Equilization Method (EEM) atomic partial charges (eem) .. rubric:: Assign QEq (charge equilibration) partial charges (Rappe and Goddard, 1991) (qeq) .. rubric:: Assign QTPIE (charge transfer, polarization and equilibration) partial charges (Chen and Martinez, 2007) (qtpie)