Package org.openscience.cdk.io

Class Summary

Class	Description
MDLReader	Deprecated This reader is only for molfiles without a version tag, typically the most common molfile now encountered is V2000 and the MDLV2000Reader should be used instead.
MDLRXNReader	Deprecated Use V2000 or V3000
MDLRXNV2000Reader	Reads a molecule from an MDL RXN file [Dalby, A. and Nourse, J. G. and Hounshell, W. D. and Gushurst, A. K. and Grier, D. L. and Leland, B. A. and Laufer, J., Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited, Journal of Chemical Information and Computer Sciences, 1992, 32:244-255].
MDLRXNV3000Reader	Class that implements the new MDL mol format introduced in August 2002.
MDLRXNWriter	Writes a reaction to a MDL rxn or SDF file.
MDLV2000Reader	Reads content from MDL molfiles and SD files.
MDLV2000Writer	Writes MDL molfiles, which contains a single molecule (see [Dalby, A. and Nourse, J. G. and Hounshell, W. D. and Gushurst, A. K. and Grier, D. L. and Leland, B. A. and Laufer, J., Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited, Journal of Chemical Information and Computer Sciences, 1992, 32:244-255]).
MDLV3000Reader	Class that implements the MDL mol V3000 format.
MDLV3000Writer	Ctab V3000 format output.
RGroupQueryReader	A reader for Symyx' Rgroup files (RGFiles).
RGroupQueryWriter	A writer for Symyx' Rgroup files (RGFiles). An RGfile describes a single molecular query with Rgroups.
SDFWriter	Writes MDL SD files ([Dalby, A. and Nourse, J. G. and Hounshell, W. D. and Gushurst, A. K. and Grier, D. L. and Leland, B. A. and Laufer, J., Description of Several Chemical Structure File Formats Used by Computer Programs Developed at Molecular Design Limited, Journal of Chemical Information and Computer Sciences, 1992, 32:244-255]).

Enum Summary

Enum	Description
MDLV2000Writer.SPIN_MULTIPLICITY	Enumeration of all valid radical values.