OBAtom¶
OBAtom |
Documentation¶
-
class
OBAtom¶ -
AddBond(self: pyOBabel.pyOBabel.OBAtom, arg0: OpenBabel::OBBond) → None¶
-
AddResidue(self: pyOBabel.pyOBabel.OBAtom, arg0: OpenBabel::OBResidue) → None¶
-
AverageBondAngle(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
BOSum(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
Clear(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
ClearBond(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
CountBondsOfOrder(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → int¶
-
CountFreeOxygens(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
CountFreeSulfurs(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
CountRingBonds(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
DeleteResidue(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
Duplicate(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → None¶
-
ExplicitHydrogenCount(self: pyOBabel.pyOBabel.OBAtom, arg0: bool) → int¶
-
GetAngle(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom, arg1: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetAngleBetweenAtoms(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom, arg1: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetAtomicMass(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetAtomicNum(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetBond(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → OpenBabel::OBBond¶
-
GetDistanceFromAtom(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetDistanceFromIndex(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → float¶
-
GetDistanceFromVector(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.vector3) → float¶
-
GetExactMass(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetFormalCharge(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetHeteroValence(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetHvyValence(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetHyb(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetId(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetIdx(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetImplicitHCount(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetIndex(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetIsotope(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetNewBondVector(self: pyOBabel.pyOBabel.OBAtom, arg0: float) → pyOBabel.pyOBabel.vector3¶
-
GetNextAtom(self: pyOBabel.pyOBabel.OBAtom) → pyOBabel.pyOBabel.OBAtom¶
-
GetParent(self: pyOBabel.pyOBabel.OBAtom) → pyOBabel.pyOBabel.OBMol¶
-
GetPartialCharge(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetResidue(self: pyOBabel.pyOBabel.OBAtom) → OpenBabel::OBResidue¶
-
GetSpinMultiplicity(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetType(self: pyOBabel.pyOBabel.OBAtom) → str¶
-
GetValence(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
GetVector(self: pyOBabel.pyOBabel.OBAtom) → pyOBabel.pyOBabel.vector3¶
-
GetX(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetY(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
GetZ(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
HasAlphaBetaUnsat(self: pyOBabel.pyOBabel.OBAtom, arg0: bool) → bool¶
-
HasAromaticBond(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasBondOfOrder(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → bool¶
-
HasChiralVolume(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasChiralitySpecified(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasDoubleBond(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasNonSingleBond(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasResidue(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HasSingleBond(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
HighestBondOrder(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
HtoMethyl(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsAmideNitrogen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsAntiClockwise(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsAromatic(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsAromaticNOxide(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsAxial(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsCarboxylOxygen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsChiral(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsClockwise(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsConnected(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHbondAcceptor(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHbondAcceptorSimple(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHbondDonor(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHbondDonorH(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHetAtom(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsHeteroatom(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsInRing(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsInRingSize(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → bool¶
-
IsNegativeStereo(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsNitroOxygen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsNonPolarHydrogen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsOneFour(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsOneThree(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsPhosphateOxygen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsPolarHydrogen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsPositiveStereo(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
IsSulfateOxygen(self: pyOBabel.pyOBabel.OBAtom) → bool¶
-
LewisAcidBaseCounts(self: pyOBabel.pyOBabel.OBAtom) → Tuple[int, int]¶
-
MatchesSMARTS(self: pyOBabel.pyOBabel.OBAtom, arg0: str) → bool¶
-
MemberOfRingCount(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
MemberOfRingSize(self: pyOBabel.pyOBabel.OBAtom) → int¶
-
NewResidue(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetAntiClockwiseStereo(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetAromatic(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetAtomicNum(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetChiral(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetClockwiseStereo(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetFormalCharge(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetHyb(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetHybAndGeom(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → bool¶
-
SetId(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetIdx(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetImplicitHCount(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetInRing(self: pyOBabel.pyOBabel.OBAtom, arg0: bool) → None¶
-
SetIsotope(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetNegativeStereo(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetParent(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.OBMol) → None¶
-
SetPartialCharge(self: pyOBabel.pyOBabel.OBAtom, arg0: float) → None¶
-
SetPositiveStereo(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
SetResidue(self: pyOBabel.pyOBabel.OBAtom, arg0: OpenBabel::OBResidue) → None¶
-
SetSpinMultiplicity(self: pyOBabel.pyOBabel.OBAtom, arg0: int) → None¶
-
SetType(self: pyOBabel.pyOBabel.OBAtom, arg0: str) → None¶
-
SetVector(*args, **kwargs)¶ Overloaded function.
- SetVector(self: pyOBabel.pyOBabel.OBAtom, arg0: pyOBabel.pyOBabel.vector3) -> None
- SetVector(self: pyOBabel.pyOBabel.OBAtom, arg0: float, arg1: float, arg2: float) -> None
-
SmallestBondAngle(self: pyOBabel.pyOBabel.OBAtom) → float¶
-
UnsetAromatic(self: pyOBabel.pyOBabel.OBAtom) → None¶
-
UnsetStereo(self: pyOBabel.pyOBabel.OBAtom) → None¶
-