The MoleculeHelper type exposes the following members.

Methods

  NameDescription
MolComposition
Returns Composition for given Molecule object
MolFormula
Returns Formula for given Molecule object
MolToImage
Save a Molecules object as Bitmap to windows clipboard
MolToMDLStringOverloaded.
MolToMDLv3000StringOverloaded.
MolToRxnString
Convert Molecules to Rxn string
MolToRxnv3000String
Convert Molecules to Rxn V3000 string
MolToSmileOverloaded.
MolToUniqueSmileOverloaded.
NewMolecule
Returns a new Molecule object
NewMolecules
Returns a new Molecules object
ReadMDLMolFile
Read a MDL V2000 Molecule file and returns a new Molecules object
ReadMolString
Read a MDLMolecule string and fill Molecules object
ReadMolv3000String
Read a MDL v3000 Molecule string and fill Molecules object
ReadRxnFile
Read a Rxn file and returns a new Molecules object
ReadRxnString
Read a MDL Rxn string and fill Molecules object
ReadRxnv3000File
Read a Rxn v3000 file and returns a new Molecules object
ReadSmileStringOverloaded.
ReadV3000MolFile
Read a MDL MDLv3000 Molecule file and returns a new Molecules object
SaveToGifOverloaded.
SaveToImageOverloaded.
SaveToJpgOverloaded.
SaveToMolFileOverloaded.
SaveToPngOverloaded.
SaveToRxnFile
Save a Reaction schema into an MDL V2000 Molecule file
SaveToRxnv3000File
Save a Reaction schema into an MDL V3000 Molecule file
SaveToV3000MolFile
Save a molecule into an MDL V3000 Molecule file

See Also