Package | Description |
---|---|
org.openscience.cdk.io | |
org.openscience.cdk.io.random | |
org.openscience.cdk.io.rdf |
Modifier and Type | Class and Description |
---|---|
class |
CIFReader
This is not a reader for the CIF and mmCIF crystallographic formats.
|
class |
CMLReader
Reads a molecule in CML 1.x and 2.0 format.
|
class |
CrystClustReader |
class |
CTXReader
Reader that extracts information from the IDENT, NAME, ATOMS and BONDS
blocks in CTX files.
|
class |
DefaultChemObjectReader
Abstract class that ChemObjectReader's can implement to have it
take care of basic stuff, like managing the ReaderListeners.
|
class |
GamessReader
A reader for GAMESS log file.
|
class |
Gaussian03Reader
A reader for Gaussian03 output.
|
class |
Gaussian98Reader
A reader for Gaussian98 output.
|
class |
GhemicalMMReader
Reads Ghemical (
http://www.uku.fi/~thassine/ghemical/)
molecular mechanics (*.mm1gp) files.
|
class |
HINReader
Reads an object from HIN formated input.
|
class |
INChIPlainTextReader
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) plain text
document.
|
class |
INChIReader
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) document.
|
class |
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. The V2000 reader can actually read files missing the version tag when
in relaxed mode. |
class |
MDLRXNReader
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].
|
class |
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].
|
class |
MDLRXNV3000Reader
Class that implements the new MDL mol format introduced in August 2002.
|
class |
MDLV2000Reader
Reads content from MDL molfiles and SD files.
|
class |
MDLV3000Reader
Class that implements the MDL mol V3000 format.
|
class |
Mol2Reader
Reads a molecule from an Mol2 file, such as written by Sybyl.
|
class |
Mopac7Reader
Reads MOPAC output, extracts several electronic parameters and assigns them as a molecule
properties.
|
class |
MoSSOutputReader
Reader for MoSS output files [Unknown BibTeXML type: BOR2002] which present the results
of a substructure mining study.
|
class |
PCCompoundASNReader
Reads an object from ASN formated input for PubChem Compound entries.
|
class |
PCCompoundXMLReader
Reads an object from ASN.1 XML formated input for PubChem Compound entries.
|
class |
PCSubstanceXMLReader
Reads an object from ASN formated input for PubChem Compound entries.
|
class |
PDBReader
Reads the contents of a PDBFile.
|
class |
PMPReader
Reads an frames from a PMP formated input.
|
class |
RGroupQueryReader
A reader for Symyx' Rgroup files (RGFiles).
|
class |
ShelXReader
A reader for ShelX output (RES) files.
|
class |
SMILESReader
This Reader reads files which has one SMILES string on each
line, where the format is given as below:
|
class |
VASPReader
Read output files generated with the VASP software.
|
class |
XYZReader
Reads an object from XYZ formated input.
|
class |
ZMatrixReader
It reads Z matrices like in Gaussian input files.
|
Modifier and Type | Method and Description |
---|---|
ISimpleChemObjectReader |
ReaderFactory.createReader(IChemFormat format)
Creates a new IChemObjectReader based on the given IChemFormat.
|
ISimpleChemObjectReader |
ReaderFactory.createReader(InputStream input)
Detects the format of the Reader input, and if known, it will return
a CDK Reader to read the format, or null when the reader is not
implemented.
|
ISimpleChemObjectReader |
ReaderFactory.createReader(Reader input)
Detects the format of the Reader input, and if known, it will return
a CDK Reader to read the format.
|
Modifier and Type | Field and Description |
---|---|
protected ISimpleChemObjectReader |
RandomAccessReader.chemObjectReader |
Modifier and Type | Method and Description |
---|---|
ISimpleChemObjectReader |
RandomAccessSDFReader.createChemObjectReader() |
abstract ISimpleChemObjectReader |
RandomAccessReader.createChemObjectReader() |
Modifier and Type | Method and Description |
---|---|
void |
RandomAccessReader.setChemObjectReader(ISimpleChemObjectReader chemObjectReader) |
Modifier and Type | Class and Description |
---|---|
class |
CDKOWLReader
Reads content from a CDK OWL serialization.
|
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