Class | Description |
---|---|
MDLFileReader |
Class that reads MDL files (various versions).
|
MDLReaderBase | |
MDLRXNV2000Reader |
Reads a molecule from an MDL RXN file {
|
MDLV2000Reader |
Reads content from MDL molfiles and SD files.
|
MDLV2000RXNWriter |
Writes a reaction to a MDL rxn or SDF file.
|
MDLV2000Writer |
Writes MDL molfiles, which contains a single molecule (see {
|
MDLWriterBase | |
RXNFileImporter | |
RXNFileManipulator | |
Substructure | |
SuperAtomContainer | |
SuperAtoms | |
SuperBonds |
Enum | Description |
---|---|
MDLV2000Writer.SPIN_MULTIPLICITY |
Enumeration of all valid radical values.
|