OpenBabel::Class
出典: Cheminformatics
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CharPtrLess
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DoubleType
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OBAngle
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OBAngleData
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OBAtom
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OBAtomAtomIter
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OBAtomBondIter
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OBBase
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OBBond
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OBChiralData
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OBCommentData
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OBConformerData
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OBConversion
化合物ファイルの読み書きします．
conv = ::OpenBabel::OBConversion.new
conv.set_in_format("mdl")
mol = ::OpenBabel::OBMol.new
conv.read_file(mol, "adenine.mol")
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OBEdgeBase
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OBElement
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OBElementTable
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OBError
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OBExternalBond
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OBExternalBondData
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OBFormat
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OBGenericData
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OBGlobalDataBase
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OBGraphBase
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OBIsotopeTable
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OBMessageHandler
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OBMol
mol = OpenBabel::OBMol.new atom1 = mol.add_atom atom2 = mol.add_atom
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OBMolAtomBFSIter
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OBMolAtomDFSIter
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OBMolAtomIter
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OBMolBondIter
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OBNodeBase
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OBPairData
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OBRTree
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OBRandom
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OBResidue
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OBResidueAtomIter
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OBResidueData
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OBResidueIter
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OBRing
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OBRingData
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OBRingSearch
- sort_rings
- remove_redundant
- add_ring_from_closure
- write_rings
- save_unique_ring
- begin_rings
- end_rings
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OBSSMatch
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OBSerialNums
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OBSetData
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OBSmartsPattern
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OBSqrtTbl
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OBStopwatch
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OBSymmetryData
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OBTorsion
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OBTorsionData
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OBTypeTable
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OBUnitCell
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OBVirtualBond
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ObLogBuf
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Pointer
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VVector3
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Vector3
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VectorBond
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VectorData
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VectorDouble
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VectorInt
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VectorMol
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VectorResidue
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VectorRing
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