Preliminary OEProton ClassΒΆ
- OEDesignUnitCharges
- Constructors
- operator=
- ApplyCharges
- CreateCopy
- IsValid
- SetCoFactorChargeEngine
- SetFallbackChargeEngine
- SetFinalizationChargeEngine
- SetLigandChargeEngine
- SetMetalChargeEngine
- SetNucleicChargeEngine
- SetOtherChargeEngine
- SetProteinChargeEngine
- SetProteinNonStandardChargeEngine
- SetSolventChargeEngine
- TransferCharge
- UseSZMAPWaterModel