OEProton FunctionsΒΆ
- OEAssignCharges
- OEAssignPartialCharges
- OEEnumerateFormalCharges
- OEEnumerateTautomers
- OEGetChargeTypeName
- OEGetReasonableProtomer
- OEGetReasonableProtomers
- OEGetReasonableTautomers
- OEGetUniqueProtomer
- OEHypervalentNormalization
- OEQuacPacGetArch
- OEQuacPacGetLicensee
- OEQuacPacGetPlatform
- OEQuacPacGetRelease
- OEQuacPacGetSite
- OEQuacPacGetVersion
- OEQuacPacIsLicensed
- OERemoveFormalCharge
- OESetNeutralpHModel
- OETautomersLargestZoneSize