API

• OEProton Classes
  • OEAM1BCCCharges
  • OEAM1BCCELF10Charges
  • OEAM1Charges
  • OEAmberFF94Charges
  • OEChargeEngineBase
  • OEChargeEngineNoOp
  • OEClearCharges
  • OECombineChargeEngines
  • OEDesignUnitCharges
  • OEELF
  • OEELFCharges
  • OEELFOptions
  • OEFormalChargeOptions
  • OEFormalToPartialCharges
  • OEGasteigerCharges
  • OEInitialCharges
  • OEMMFF94Charges
  • OESpreadMetalCharges
  • OETautomerOptions
  • OETautomerMolFunction
  • OETyperMolFunction
• OEProton Constants
  • OECharges
  • OEChargingRequirement
  • OEHybridizationLevel
  • OERacemicType
• OEProton Functions
  • OEAssignCharges
  • OEAssignPartialCharges
  • OEEnumerateFormalCharges
  • OEEnumerateTautomers
  • OEGetChargeTypeName
  • OEGetReasonableProtomer
  • OEGetReasonableProtomers
  • OEGetReasonableTautomers
  • OEGetUniqueProtomer
  • OEHypervalentNormalization
  • OEQuacPacGetArch
  • OEQuacPacGetLicensee
  • OEQuacPacGetPlatform
  • OEQuacPacGetRelease
  • OEQuacPacGetSite
  • OEQuacPacGetVersion
  • OEQuacPacIsLicensed
  • OERemoveFormalCharge
  • OESetNeutralpHModel
  • OETautomersLargestZoneSize
• OEMolAM1 Classes
  • OEAM1
  • OEAM1Options
  • OEAM1Results
  • OEOptimizedAM1
• OEMolAM1 Constants
  • OEMethodType
• OEMolAM1 Constants
  • OEBCCType
• OEAM1BCC Functions
  • OEBCCPartialCharges
  • OESymmetrizePartialCharges

Preliminary API

• Preliminary OEProton Class
  • OEChargeParameter
  • OEMultistatepKaModel
  • OEMultistatepKaModelOptions
• Preliminary OEProton Constants
  • OEAdjTypeAtNeutralpH
  • OEMultistatepKaModelpH
  • OEpKaRange
• Preliminary OEProton Functions
  • OEGetAtomAdjTypeAtNeutralpHName
  • OEGetAtomAdjTypeAtNeutralpHType
  • OEGetAtompKaRangeName
  • OEGetAtompKaRangeType
  • OEGetMultistatepKaModelpHName
  • OEGetMultistatepKaModelpHType