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 |
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. et. al.. Journal of Chemical Information and Computer Sciences. 1992. 32)).
|
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. et. al.. Journal of Chemical Information and Computer Sciences. 1992. 32)).
|
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 | 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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