Quacpac Toolkit 2.2.6.a.1
- Theory
- Examples
- Appendix: Additional Examples in Python
- 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
- OEProton Functions
- OEAssignCharges
- OEAssignPartialCharges
- OEEnumerateFormalCharges
- OEEnumerateTautomers
- OEGetChargeTypeName
- OEGetReasonableProtomer
- OEGetReasonableProtomers
- OEGetReasonableTautomers
- OEGetUniqueProtomer
- OEHypervalentNormalization
- OEQuacPacGetArch
- OEQuacPacGetLicensee
- OEQuacPacGetPlatform
- OEQuacPacGetRelease
- OEQuacPacGetSite
- OEQuacPacGetVersion
- OEQuacPacIsLicensed
- OERemoveFormalCharge
- OESetNeutralpHModel
- OETautomersLargestZoneSize
- OEMolAM1 Classes
- OEMolAM1 Constants
- OEMolAM1 Constants
- OEAM1BCC Functions
- OEProton Classes
- Preliminary API
- Release History
- Quacpac TK
- Quacpac TK 2.2.7
- Quacpac TK 2.2.6
- Quacpac TK 2.2.5
- Quacpac TK 2.2.4
- Quacpac TK 2.2.3
- Quacpac TK 2.2.2
- Quacpac TK 2.2.1
- Quacpac TK 2.2.0
- Quacpac TK 2.1.4
- Quacpac TK 2.1.3
- Quacpac TK 2.1.2
- Quacpac TK 2.1.1.2
- Quacpac TK 2.1.1
- Quacpac TK 2.1.0
- Quacpac TK 2.0.2
- Quacpac TK 2.0.1
- Quacpac TK 2.0.0
- Quacpac TK 1.9.3
- Quacpac TK 1.9.2
- Quacpac TK 1.9.1
- Quacpac TK 1.9.0
- Quacpac TK 1.8.6
- Quacpac TK 1.8.5
- Quacpac TK 1.8.4
- Quacpac TK 1.8.3
- Quacpac TK 1.8.2
- Quacpac TK 1.8.1
- Quacpac TK 1.8.0
- Quacpac TK 1.7.2
- Quacpac TK 1.7.1
- Quacpac TK 1.7.0
- Quacpac TK 1.6.4
- Quacpac TK 1.6.2
- Quacpac TK 1.6.1
- Quacpac TK 1.6.0
- Quacpac TK 1.5.2
- Quacpac TK 1.5.1
- Quacpac TK 1.5.0
- Quacpac TK 1.4.1
- Quacpac TK 1.4.0
- Quacpac TK 1.3.1
- Quacpac TK 1.3.0
- Quacpac TK 1.1.0