Package | Description |
---|---|
org.openscience.cdk.io | |
org.openscience.cdk.io.program | |
org.openscience.cdk.io.rdf |
Modifier and Type | Class and Description |
---|---|
class |
CDKSourceCodeWriter
Converts a Molecule into CDK source code that would build the same
molecule.
|
class |
CMLWriter
Serializes a
IAtomContainerSet or a IAtomContainer object to CML 2 code. |
class |
CrystClustWriter
Rather stupid file format used for storing crystal information.
|
class |
DefaultChemObjectWriter
Abstract class that ChemObjectReader's can implement to have it
take care of basic stuff, like managing the ReaderListeners.
|
class |
HINWriter
Writer that outputs in the HIN format.
|
class |
MDLRXNWriter
Writes a reaction to a MDL rxn or SDF file.
|
class |
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]).
|
class |
MDLV3000Writer
Ctab V3000 format output.
|
class |
Mol2Writer
An output Writer that writes molecular data into the
Tripos Mol2 format.
|
class |
PDBWriter
Saves small molecules in a rudimentary PDB format.
|
class |
RGroupQueryWriter
A writer for Symyx' Rgroup files (RGFiles).
An RGfile describes a single molecular query with Rgroups. |
class |
RssWriter
Generates an RSS feed.
|
class |
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]).
|
class |
ShelXWriter
Serializes a MoleculeSet or a Molecule object to ShelX code.
|
class |
SMILESWriter
Writes the SMILES strings to a plain text file.
|
class |
XYZWriter |
Modifier and Type | Method and Description |
---|---|
IChemObjectWriter |
WriterFactory.createWriter(IChemFormat format)
Creates a new IChemObjectWriter based on the given IChemFormat.
|
Modifier and Type | Class and Description |
---|---|
class |
GaussianInputWriter
File writer thats generates input files for Gaussian calculation
jobs.
|
class |
Mopac7Writer
Prepares input file for running MOPAC.
|
Modifier and Type | Class and Description |
---|---|
class |
CDKOWLWriter
Serializes the data model into CDK OWL.
|
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