************************************************************ OpenBabel ************************************************************ to_angle_data: -1 to_atom_class_data: -1 to_chiral_data: -1 to_comment_data: -1 to_conformer_data: -1 to_external_bond_data: -1 to_grid_data: -1 to_matrix_data: -1 to_nasa_thermo_data: -1 to_pair_data: -1 to_rate_data: -1 to_rotamer_list: -1 to_rotation_data: -1 to_serial_nums: -1 to_set_data: -1 to_symmetry_data: -1 to_torsion_data: -1 to_unit_cell: -1 to_vector_data: -1 to_vibration_data: -1 to_virtual_bond: -1 double_multiply: -1 double_add: -1 double_modulus: -1 rotate_coords: -1 calc_rms: -1 <<: -1 +: -1 -: -1 /: -1 *: -1 dot: -1 cross: -1 vector_angle: -1 calc_torsion_angle: -1 point_2plane_signed: -1 point_2plane: -1 point_2plane_angle: -1 point_2line: -1 VZero: 0 VX: 0 VY: 0 VZ: 0 obrelease_version: -1 obErrorLog: 0 obErrorLog=: 1 Residue: 0 Residue=: 1 ElemDesc: 0 ElemDesc=: 1 ResNo: 0 ResNo=: 1 ElemNo: 0 ElemNo=: 1 throw_error: -1 cartesian_to_internal: -1 internal_to_cartesian: -1 new_extension: -1 etab: 0 etab=: 1 ttab: 0 ttab=: 1 isotab: 0 isotab=: 1 aromtyper: 0 aromtyper=: 1 atomtyper: 0 atomtyper=: 1 chainsparser: 0 chainsparser=: 1 resdat: 0 resdat=: 1 NoId: 0 get_rmat: -1 ob_make_rmat: -1 qtrfit: -1 superimpose: -1 compare_ring_size: -1 smarts_lex_replace: -1 AliasDataType: 0 tanimoto: -1 ***[OpenBabel::VectorUnsignedInt NO METHODS]*** ***[OpenBabel::VectorInt NO METHODS]*** ***[OpenBabel::Iterator NO METHODS]*** ***[OpenBabel::ConstIterator NO METHODS]*** ***[OpenBabel::GCVALUE NO METHODS]*** ***[OpenBabel::OBTorsion NO METHODS]*** ***[OpenBabel::OBSymmetryData NO METHODS]*** ***[OpenBabel::OBConformerData NO METHODS]*** ***[OpenBabel::OBUnitCell NO METHODS]*** ***[OpenBabel::OBRingData NO METHODS]*** ***[OpenBabel::OBVirtualBond NO METHODS]*** ***[OpenBabel::OBSetData NO METHODS]*** ***[OpenBabel::OBPairData NO METHODS]*** ***[OpenBabel::OBExternalBondData NO METHODS]*** ***[OpenBabel::OBExternalBond NO METHODS]*** ***[OpenBabel::OBCommentData NO METHODS]*** ************************************************************ OpenBabel::OBAtom ************************************************************ class_description: -1 ***[OpenBabel::OBInternalCoord NO METHODS]*** ***[OpenBabel::LineSearchType NO METHODS]*** ************************************************************ OpenBabel::OBDescriptor ************************************************************ default: -1 find_type: -1 filter_compare: -1 add_properties: -1 delete_properties: -1 get_values: -1 get_identifier: -1 get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ***[OpenBabel::FastSearchIndexer NO METHODS]*** ***[OpenBabel::FastSearch NO METHODS]*** ***[OpenBabel::FptIndexHeader NO METHODS]*** ************************************************************ OpenBabel::OBFingerprint ************************************************************ default: -1 find_type: -1 tanimoto: -1 getbitsperint: -1 find_fingerprint: -1 get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ***[OpenBabel::OBAtomClassData NO METHODS]*** ************************************************************ OpenBabel::AliasData ************************************************************ revert_to_alias_form: -1 ***[OpenBabel::OBMolRingIter NO METHODS]*** ***[OpenBabel::OBMolPairIter NO METHODS]*** ***[OpenBabel::OBMolTorsionIter NO METHODS]*** ***[OpenBabel::OBMolAngleIter NO METHODS]*** ***[OpenBabel::OBResidueAtomIter NO METHODS]*** ***[OpenBabel::OBResidueIter NO METHODS]*** ***[OpenBabel::OBAtomBondIter NO METHODS]*** ***[OpenBabel::OBAtomAtomIter NO METHODS]*** ***[OpenBabel::OBMolBondIter NO METHODS]*** ***[OpenBabel::OBMolBondBFSIter NO METHODS]*** ***[OpenBabel::OBMolAtomBFSIter NO METHODS]*** ***[OpenBabel::OBMolAtomDFSIter NO METHODS]*** ***[OpenBabel::OBMolAtomIter NO METHODS]*** ***[OpenBabel::OBRotamerList NO METHODS]*** ***[OpenBabel::OBRotorKeys NO METHODS]*** ***[OpenBabel::RotorDigit NO METHODS]*** ***[OpenBabel::OBRotorList NO METHODS]*** ***[OpenBabel::OBRotor NO METHODS]*** ***[OpenBabel::OBRotorRules NO METHODS]*** ***[OpenBabel::OBRotorRule NO METHODS]*** ***[OpenBabel::OBBitVec NO METHODS]*** ************************************************************ OpenBabel::OBOp ************************************************************ default: -1 find_type: -1 op_options: -1 do_ops: -1 get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ************************************************************ OpenBabel::OBBuilder ************************************************************ get_new_bond_vector: -1 connect: -1 swap: -1 correct_stereo_bonds: -1 correct_stereo_atoms: -1 is_spiro_atom: -1 get_fragment: -1 add_nbrs: -1 ************************************************************ OpenBabel::OBForceField ************************************************************ default: -1 find_type: -1 find_force_field: -1 ignore_calculation: -1 vector_bond_derivative: -1 vector_distance_derivative: -1 vector_length_derivative: -1 vector_angle_derivative: -1 vector_oopderivative: -1 vector_torsion_derivative: -1 vector_subtract: -1 vector_add: -1 vector_divide: -1 vector_multiply: -1 vector_self_multiply: -1 vector_normalize: -1 vector_copy: -1 vector_length: -1 vector_distance: -1 vector_angle: -1 vector_torsion: -1 vector_oop: -1 vector_clear: -1 vector_dot: -1 vector_cross: -1 print_vector: -1 get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ***[OpenBabel::OBFFConstraints NO METHODS]*** ***[OpenBabel::OBFFConstraint NO METHODS]*** ***[OpenBabel::OBFFCalculation4 NO METHODS]*** ***[OpenBabel::OBFFCalculation3 NO METHODS]*** ***[OpenBabel::OBFFCalculation2 NO METHODS]*** ***[OpenBabel::OBFFParameter NO METHODS]*** ***[OpenBabel::OBSSMatch NO METHODS]*** ***[OpenBabel::OBSmartsMatcher NO METHODS]*** ***[OpenBabel::OBSmartsPattern NO METHODS]*** ***[OpenBabel::OBRTree NO METHODS]*** ***[OpenBabel::OBRingSearch NO METHODS]*** ***[OpenBabel::OBRing NO METHODS]*** ************************************************************ OpenBabel::OBMol ************************************************************ class_description: -1 ************************************************************ OpenBabel::OBBond ************************************************************ class_description: -1 ************************************************************ OpenBabel::OBResidue ************************************************************ class_description: -1 ************************************************************ OpenBabel::OBConversion ************************************************************ register_format: -1 find_format: -1 format_from_ext: -1 format_from_mime: -1 get_next_format: -1 description: -1 register_option_param: -1 get_option_params: -1 get_default_format: -1 ************************************************************ OpenBabel::OBFormat ************************************************************ default: -1 find_type: -1 format_from_mime: -1 get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ***[OpenBabel::ObLogBuf NO METHODS]*** ***[OpenBabel::OBMessageHandler NO METHODS]*** ***[OpenBabel::OBError NO METHODS]*** ***[OpenBabel::Stringbuf NO METHODS]*** ************************************************************ OpenBabel::OBPlugin ************************************************************ get_plugin: -1 list_as_vector: -1 list: -1 list_as_string: -1 first_line: -1 begin: -1 end: -1 ***[OpenBabel::CharPtrLess NO METHODS]*** ***[OpenBabel::Dummy NO METHODS]*** ***[OpenBabel::OBGridData NO METHODS]*** ***[OpenBabel::OBMatrixData NO METHODS]*** ***[OpenBabel::OBVectorData NO METHODS]*** ***[OpenBabel::OBRotationData NO METHODS]*** ***[OpenBabel::OBElectronicTransitionData NO METHODS]*** ***[OpenBabel::OBOrbitalData NO METHODS]*** ***[OpenBabel::OBOrbital NO METHODS]*** ***[OpenBabel::OBDOSData NO METHODS]*** ***[OpenBabel::OBVibrationData NO METHODS]*** ***[OpenBabel::OBSerialNums NO METHODS]*** ***[OpenBabel::OBChiralData NO METHODS]*** ***[OpenBabel::OBAngleData NO METHODS]*** ***[OpenBabel::OBAngle NO METHODS]*** ***[OpenBabel::OBTorsionData NO METHODS]*** ************************************************************ OpenBabel::OBBase ************************************************************ class_description: -1 ***[OpenBabel::OBGenericData NO METHODS]*** ************************************************************ OpenBabel::Matrix3x3 ************************************************************ jacobi: -1 ***[OpenBabel::Vector3 NO METHODS]*** ***[OpenBabel::OBSqrtTbl NO METHODS]*** ***[OpenBabel::OBStopwatch NO METHODS]*** ***[OpenBabel::OBRandom NO METHODS]*** ***[OpenBabel::DoubleType NO METHODS]*** ***[OpenBabel::OBResidueData NO METHODS]*** ***[OpenBabel::OBTypeTable NO METHODS]*** ***[OpenBabel::OBIsotopeTable NO METHODS]*** ***[OpenBabel::OBElementTable NO METHODS]*** ***[OpenBabel::OBElement NO METHODS]*** ***[OpenBabel::OBGlobalDataBase NO METHODS]*** ***[OpenBabel::VectorpOBGenericData NO METHODS]*** ***[OpenBabel::VectorpOBRing NO METHODS]*** ***[OpenBabel::VectorOBRing NO METHODS]*** ***[OpenBabel::VectorOBResidue NO METHODS]*** ***[OpenBabel::VectorOBBond NO METHODS]*** ***[OpenBabel::VectorOBMol NO METHODS]*** ***[OpenBabel::VectorVector3 NO METHODS]*** ***[OpenBabel::VectorString NO METHODS]*** ***[OpenBabel::VectorDouble NO METHODS]*** ***[OpenBabel::VectorVInt NO METHODS]***