class OEMMFF94Charges : public OEChargeEngineBase
Charge engine input to
to assign MMFF94 atomic partial charges.
The input molecule must have explicit hydrogens and MMFF94 parameters must be available for each atom. MMFF charges are graph based and do not require 3D coordinates.
The following methods are publicly inherited from OEChargeEngineBase:
Constructor. There are no options for this charge engine.