openchemlib-utils
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      openchemlib-utils

      Classes

      MoleculesDB
      Reactions
      TopicMolecule

      Interfaces

      DiaIDAndInfo
      GetNMRHintsOptions
      GroupedDiaID
      GroupedDiaIDsOptions
      NMRHint

      Variables

      FULL_HOSE_CODE
      HOSE_CODE_CUT_C_SP3_SP3

      Functions

      combineSmiles
      createPolymer
      ensureHeterotopicChiralBonds
      fragmentAcyclicSingleBonds
      getAtomFeatures
      getAtoms
      getAtomsInfo
      getCharge
      getConnectivityMatrix
      getDiastereotopicAtomIDs
      getDiastereotopicAtomIDsAndH
      getDiastereotopicAtomIDsFromMolfile
      getGroupedDiastereotopicAtomIDs
      getHoseCodes
      getHoseCodesAndInfo
      getHoseCodesForAtom
      getHoseCodesForAtoms
      getHoseCodesForPath
      getHoseCodesFromDiastereotopicID
      getImplicitHydrogensCount
      getMF
      getMolfilesMapping
      getNextNMRHint
      getNMRHints
      getPathAndTorsion
      getPathsInfo
      getProperties
      getShortestPaths
      groupDiastereotopicAtomIDs
      isCsp3
      makeRacemic
      nbCHO
      nbCN
      nbCOOH
      nbLabileH
      nbNH2
      nbOH
      parseDwar
      tagAtom
      toDiastereotopicSVG
      toggleHydrogens
      toVisualizerMolfile

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