CDKSourceCodeWriter |
Converts a Molecule into CDK source code that would build the same
molecule.
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ChemObjectIO |
Provides some basic functionality for readers and writers.
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CIFReader |
This is not a reader for the CIF and mmCIF crystallographic formats.
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CMLReader |
Reads a molecule in CML 1.x and 2.0 format.
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CMLWriter |
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CrystClustReader |
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CrystClustWriter |
Rather stupid file format used for storing crystal information.
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CTXReader |
Reader that extracts information from the IDENT, NAME, ATOMS and BONDS
blocks in CTX files.
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DefaultChemObjectReader |
Abstract class that ChemObjectReader's can implement to have it
take care of basic stuff, like managing the ReaderListeners.
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DefaultChemObjectReaderErrorHandler |
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DefaultChemObjectWriter |
Abstract class that ChemObjectReader's can implement to have it
take care of basic stuff, like managing the ReaderListeners.
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FormatFactory |
A factory for recognizing chemical file formats.
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GamessReader |
A reader for GAMESS log file.
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Gaussian03Reader |
A reader for Gaussian03 output.
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Gaussian98Reader |
A reader for Gaussian98 output.
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GhemicalMMReader |
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HINReader |
Reads an object from HIN formated input.
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HINWriter |
Writer that outputs in the HIN format.
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INChIPlainTextReader |
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) plain text
document.
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INChIReader |
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) document.
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MDLReader |
Deprecated.
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MDLRXNReader |
Deprecated.
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MDLRXNV2000Reader |
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MDLRXNV3000Reader |
Class that implements the new MDL mol format introduced in August 2002.
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MDLRXNWriter |
Writes a reaction to a MDL rxn or SDF file.
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MDLV2000Reader |
Reads content from MDL molfiles and SD files.
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MDLV2000Writer |
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MDLV3000Reader |
Class that implements the MDL mol V3000 format.
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MDLV3000Writer |
Ctab V3000 format output.
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Mol2Reader |
Reads a molecule from an Mol2 file, such as written by Sybyl.
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Mol2Writer |
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Mopac7Reader |
Reads MOPAC output, extracts several electronic parameters and assigns them as a molecule
properties.
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MoSSOutputReader |
Reader for MoSS output files [Unknown BibTeXML type: BOR2002] which present the results
of a substructure mining study.
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PCCompoundASNReader |
Reads an object from ASN formated input for PubChem Compound entries.
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PCCompoundXMLReader |
Reads an object from ASN.1 XML formated input for PubChem Compound entries.
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PCSubstanceXMLReader |
Reads an object from ASN formated input for PubChem Compound entries.
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PDBReader |
Reads the contents of a PDBFile.
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PDBWriter |
Saves small molecules in a rudimentary PDB format.
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PMPReader |
Reads an frames from a PMP formated input.
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RdfileReader |
Iterating reader for RDFiles.
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RdfileRecord |
The RdfileRecord class represents a single record of an RD file.
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ReaderEvent |
Signals that something has happened in a file reader.
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ReaderFactory |
A factory for creating ChemObjectReaders.
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RGroupQueryReader |
A reader for Symyx' Rgroup files (RGFiles).
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RGroupQueryWriter |
A writer for Symyx' Rgroup files (RGFiles).
An RGfile describes a single molecular query with Rgroups.
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RssWriter |
Generates an RSS feed.
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SDFWriter |
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ShelXReader |
A reader for ShelX output (RES) files.
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ShelXWriter |
Serializes a MoleculeSet or a Molecule object to ShelX code.
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SMILESReader |
This Reader reads files which has one SMILES string on each
line, where the format is given as below:
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SMILESWriter |
Writes the SMILES strings to a plain text file.
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VASPReader |
Read output files generated with the VASP software.
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WriterFactory |
Helper tool to create IChemObjectWriters.
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XYZReader |
Reads an object from XYZ formated input.
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XYZWriter |
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ZMatrixReader |
It reads Z matrices like in Gaussian input files.
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