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Here is a list of all class members with links to the classes they belong to:
- a -
A :
OBRateData
a :
OBFFParameter
,
OBFFConstraint
,
GasteigerState
,
OBFFCalculation2
aalloc :
Pattern
acount :
Pattern
Add() :
OBAtomClassData
,
FastSearchIndexer
AddAgent() :
OBReaction
AddAngleConstraint() :
OBFFConstraints
AddAtom() :
OBMol
,
OBResidue
AddAtomConstraint() :
OBFFConstraints
AddAtomRef() :
OBChiralData
AddAtomXConstraint() :
OBFFConstraints
AddAtomYConstraint() :
OBFFConstraints
AddAtomZConstraint() :
OBFFConstraints
AddBond() :
OBAtom
,
OBMol
AddChemObject() :
OBConversion
AddConformer() :
OBMol
AddData() :
OBSetData
AddDistanceConstraint() :
OBFFConstraints
AddGradient() :
OBForceField
AddHydrogens() :
OBMol
AddIgnore() :
OBFFConstraints
AddInterGroup() :
OBForceField
AddInterGroups() :
OBForceField
AddIntraGroup() :
OBForceField
AddNbrs() :
OBBuilder
AddOption() :
OBConversion
AddPolarHydrogens() :
OBMol
AddProduct() :
OBReaction
AddProperties() :
OBDescriptor
AddReactant() :
OBReaction
AddResidue() :
OBAtom
,
OBMol
AddRingFromClosure() :
OBRingSearch
AddRotamer() :
OBRotamerList
AddRotamers() :
OBRotamerList
AddRotor() :
OBRotorKeys
AddTorsion() :
OBTorsion
AddTorsionConstraint() :
OBFFConstraints
AddTransform() :
SpaceGroup
AliasData() :
AliasData
Align() :
OBMol
ALL :
OBConversion
ANGSTROM :
OBGridData
Apply() :
OBChemTsfm
arg :
_BondExpr
,
_AtomExpr
ARRHENIUS :
OBRateData
AsArray() :
vector3
assign_rules() :
patty
assign_types() :
patty
AssignAromaticFlags() :
OBAromaticTyper
AssignBonds() :
OBResidueData
AssignFunctionalGroupBonds() :
OBBondTyper
AssignHyb() :
OBAtomTyper
AssignImplicitValence() :
OBAtomTyper
AssignPartialCharges() :
OBGastChrg
AssignSeedPartialCharge() :
OBPhModel
AssignSpinMultiplicity() :
OBMol
AssignTorVals() :
OBRotorList
AssignTypes() :
OBAtomTyper
,
OBRingTyper
ASYMMETRIC :
OBRotationData
atom :
Pattern
AutomaticFormalCharge() :
OBMol
AutomaticPartialCharge() :
OBMol
AverageBondAngle() :
OBAtom