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a
OpenBabel::OBFFParameter::a() OpenBabel::OBFFCalculation2::a() OpenBabel::OBFFConstraint::a() OpenBabel::GasteigerState::a() OpenBabel::OBRateData::A() OpenBabel::OBResidueIndex::A()
AA_ALA residue.h
AA_ARG residue.h
AA_ASN residue.h
AA_ASP residue.h
AA_CYS residue.h
AA_GLN residue.h
AA_GLU residue.h
AA_GLY residue.h
AA_HIS residue.h
AA_ILE residue.h
AA_LEU residue.h
AA_LYS residue.h
AA_MET residue.h
AA_PHE residue.h
AA_PRO residue.h
AA_SER residue.h
AA_THR residue.h
AA_TRP residue.h
AA_TYR residue.h
AA_VAL residue.h
aalloc OpenBabel::Pattern
AccuracyOption OpenBabel::OBSpectrophore
ACE OpenBabel::OBResidueIndex
ACIDIC OpenBabel::OBAminoAcidProperty
acount OpenBabel::Pattern
ACYCLIC OpenBabel::OBAminoAcidProperty
Add
OpenBabel::OBAtomClassData::Add() OpenBabel::FastSearchIndexer::Add()
AddAgent OpenBabel::OBReaction
AddAngleConstraint OpenBabel::OBFFConstraints
AddAtom
OpenBabel::OBMol::AddAtom() OpenBabel::OBQuery::AddAtom() OpenBabel::OBResidue::AddAtom()
AddAtomConstraint OpenBabel::OBFFConstraints
AddAtomLabels OpenBabel::OBDepict
AddAtomRef OpenBabel::OBChiralData
AddAtomXConstraint OpenBabel::OBFFConstraints
AddAtomYConstraint OpenBabel::OBFFConstraints
AddAtomZConstraint OpenBabel::OBFFConstraints
AddBond
OpenBabel::OBAtom::AddBond() OpenBabel::OBMol::AddBond(int beginIdx, int endIdx, int order, int flags=0, int insertpos=-1) OpenBabel::OBMol::AddBond(OBBond &) OpenBabel::OBQuery::AddBond()
AddChemObject OpenBabel::OBConversion
AddConformer OpenBabel::OBMol
AddData OpenBabel::OBSetData
AddDistanceConstraint OpenBabel::OBFFConstraints
addFragment OpenBabel
AddGradient OpenBabel::OBForceField
AddHydrogens
OpenBabel::OBMol::AddHydrogens(bool polaronly=false, bool correctForPH=false, double pH=7.4) OpenBabel::OBMol::AddHydrogens(OBAtom *)
AddIgnore OpenBabel::OBFFConstraints
AddInterGroup OpenBabel::OBForceField
AddInterGroups OpenBabel::OBForceField
AddIntraGroup OpenBabel::OBForceField
AddNbrs
OpenBabel::OBBuilder::AddNbrs() OpenBabel::addNbrs()
AddOption OpenBabel::OBConversion
AddPolarHydrogens OpenBabel::OBMol
AddProduct OpenBabel::OBReaction
AddProperties OpenBabel::OBDescriptor
AddReactant OpenBabel::OBReaction
AddResidue
OpenBabel::OBAtom::AddResidue() OpenBabel::OBMol::AddResidue()
AddRingFromClosure OpenBabel::OBRingSearch
AddRotamer
OpenBabel::OBRotamerList::AddRotamer(double *) OpenBabel::OBRotamerList::AddRotamer(int *key) OpenBabel::OBRotamerList::AddRotamer(std::vector< int > key) OpenBabel::OBRotamerList::AddRotamer(unsigned char *key)
AddRotamers OpenBabel::OBRotamerList
AddRotor OpenBabel::OBRotorKeys
AddTorsion
OpenBabel::OBTorsion::AddTorsion(OBAtom *a, OBAtom *b, OBAtom *c, OBAtom *d) OpenBabel::OBTorsion::AddTorsion(quad< OBAtom *, OBAtom *, OBAtom *, OBAtom * > &atoms)
AddTorsionConstraint OpenBabel::OBFFConstraints
AddTransform OpenBabel::SpaceGroup
addZeroeth OpenBabel
adjustedlist OpenBabel
AE_ANDHI parsmart.cpp
AE_ANDLO parsmart.cpp
AE_LEAF parsmart.cpp
AE_NOT parsmart.cpp
AE_OR parsmart.cpp
AE_RECUR parsmart.cpp
AI_C chains.cpp
AI_C1 chains.cpp
AI_C2 chains.cpp
AI_C3 chains.cpp
AI_C4 chains.cpp
AI_C5 chains.cpp
AI_CA chains.cpp
AI_N chains.cpp
AI_O chains.cpp
AI_O1P chains.cpp
AI_O2 chains.cpp
AI_O2P chains.cpp
AI_O3 chains.cpp
AI_O4 chains.cpp
AI_O5 chains.cpp
AI_OXT chains.cpp
AI_P chains.cpp
AL_ANTICLOCKWISE parsmart.cpp
AL_AROM parsmart.cpp
AL_CHIRAL parsmart.cpp
AL_CLOCKWISE parsmart.cpp
AL_CONNECT parsmart.cpp
AL_CONST parsmart.cpp
AL_DEGREE parsmart.cpp
AL_ELEM parsmart.cpp
AL_HCOUNT parsmart.cpp
AL_HYB parsmart.cpp
AL_IMPLICIT parsmart.cpp
AL_MASS parsmart.cpp
AL_NEGATIVE parsmart.cpp
AL_POSITIVE parsmart.cpp
AL_RINGCONNECT parsmart.cpp
AL_RINGS parsmart.cpp
AL_SIZE parsmart.cpp
AL_UNSPECIFIED parsmart.cpp
AL_VALENCE parsmart.cpp
ALA OpenBabel::OBResidueIndex
alias.cpp
alias.h
AliasData OpenBabel::AliasData
AliasData OpenBabel
AliasDataType OpenBabel
Align
OpenBabel::OBMol::Align() OpenBabel::OBAlign::Align()
align.cpp
align.h
ALIPHATIC OpenBabel::OBAminoAcidProperty
alkaly OpenBabel
alkalyEarth OpenBabel
All
OpenBabel::OBSmartsPattern::All() OpenBabel::OBConversion::ALL()
ALL_READS_BINARY obconversion.cpp
AllocateByteCode OpenBabel
AllocAtomExpr OpenBabel
AllocBondExpr OpenBabel
AllocPattern OpenBabel
AllStereoSpecificProbes OpenBabel::OBSpectrophore
AllUnique OpenBabel::OBSmartsPattern
alpha OpenBabel::OBColor
ALPHA_CARBON OpenBabel::OBResidueAtomProperty
alternate
OpenBabel::alternate(OBMol *pmol, const int nH[], int bondOrders[]) OpenBabel::alternate(const std::vector< int > aPosition, const std::vector< int > aCharge, const std::vector< int > aRad, const std::vector< int > nHydr, const std::vector< int > iA1, const std::vector< int > iA2, std::vector< int > &bondOrders, int nAtoms, int nBonds) OpenBabel::alternate(OBMol *pmol, const std::vector< int > nH, std::vector< int > &bondOrders)
always OpenBabel
AMINO OpenBabel::OBResidueProperty
AMINO_BACKBONE OpenBabel::OBResidueAtomProperty
AMINO_NUCLEO OpenBabel::OBResidueProperty
AminoAcids OpenBabel
AMINOMAX chains.cpp
analizeParity OpenBabel
analizeParityBond OpenBabel
analyzeOK OpenBabel
AndAtomExpr OpenBabel
AndAtomExprLeaf OpenBabel
AngleData OpenBabel::OBGenericDataType
AngStepSize1 OpenBabel::OBSpectrophore
AngStepSize10 OpenBabel::OBSpectrophore
AngStepSize15 OpenBabel::OBSpectrophore
AngStepSize2 OpenBabel::OBSpectrophore
AngStepSize20 OpenBabel::OBSpectrophore
AngStepSize30 OpenBabel::OBSpectrophore
AngStepSize36 OpenBabel::OBSpectrophore
AngStepSize45 OpenBabel::OBSpectrophore
AngStepSize5 OpenBabel::OBSpectrophore
AngStepSize60 OpenBabel::OBSpectrophore
ANGSTROM OpenBabel::OBGridData
AntiClockwise OpenBabel::OBStereo
any OpenBabel
ANY_ATOM mcdlutil.cpp
ANY_BOND mcdlutil.cpp
Apply OpenBabel::OBChemTsfm
ApplyRotMatToBond OpenBabel
ApproxZero obutil.cpp
arg
OpenBabel::_AtomExpr::arg() OpenBabel::_BondExpr::arg() OpenBabel::OBResidueIndex::ARG()
Aromatic
OpenBabel::OBBond::Aromatic() OpenBabel::OBAminoAcidProperty::AROMATIC()
aromtyper OpenBabel
ARRHENIUS OpenBabel::OBRateData
AsArray OpenBabel::vector3
ascent OpenBabel::OBFontMetrics
ASN OpenBabel::OBResidueIndex
ASP OpenBabel::OBResidueIndex
assign_rules OpenBabel::patty
assign_types
OpenBabel::patty::assign_types(OBMol &mol, std::vector< std::string > &atm_typ) OpenBabel::patty::assign_types(OBMol &mol, std::vector< int > &atm_typ)
AssignAromaticFlags OpenBabel::OBAromaticTyper
AssignBonds OpenBabel::OBResidueData
AssignFunctionalGroupBonds OpenBabel::OBBondTyper
AssignHyb OpenBabel::OBAtomTyper
AssignImplicitValence OpenBabel::OBAtomTyper
AssignPartialCharges OpenBabel::OBGastChrg
AssignSeedPartialCharge OpenBabel::OBPhModel
AssignSpinMultiplicity OpenBabel::OBMol
AssignTorVals OpenBabel::OBRotorList
AssignTypes
OpenBabel::OBAtomTyper::AssignTypes() OpenBabel::OBRingTyper::AssignTypes()
ASX OpenBabel::OBResidueIndex
aSymb OpenBabel
ASYMMETRIC OpenBabel::OBRotationData
atom OpenBabel::Pattern
atom.cpp
atom.h
atomclass.h
AtomExpr OpenBabel
AtomExprConflict OpenBabel
AtomExprImplied OpenBabel
AtomExprImplies OpenBabel
ATOMEXPRPOOL parsmart.cpp
AtomId OpenBabel::OBDepict
AtomIndex
OpenBabel::OBDepict::AtomIndex() OpenBabel::AtomIndex()
AtomLabelType OpenBabel::OBDepict
AtomLeafConflict OpenBabel
AtomLeafImplies OpenBabel
ATOMMAX chains.cpp
ATOMMINAMINO chains.cpp
ATOMMINNUCLEIC chains.cpp
ATOMPOOL parsmart.cpp
atomreftype OpenBabel
atomRingToBondRing OpenBabel
AtomSpec OpenBabel
AtomSymmetryClass OpenBabel::OBDepict
AtomTetrahedralStereo OpenBabel::OBDepict
atomtyper OpenBabel
AtomValence OpenBabel::OBDepict
AutomaticFormalCharge OpenBabel::OBMol
AutomaticPartialCharge OpenBabel::OBMol
Automorphism OpenBabel
Automorphisms OpenBabel
Average OpenBabel::OBConformerScore
AverageBondAngle OpenBabel::OBAtom
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