Uses of Class
org.openscience.cdk.io.ChemObjectIO
Packages that use ChemObjectIO
Package
Description
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Uses of ChemObjectIO in org.openscience.cdk.io
Subclasses of ChemObjectIO in org.openscience.cdk.ioModifier and TypeClassDescriptionclass
Converts a Molecule into CDK source code that would build the same molecule.class
This is not a reader for the CIF and mmCIF crystallographic formats.class
Reads a molecule in CML 1.x and 2.0 format.class
Serializes aIAtomContainerSet
or aIAtomContainer
object to CML 2 code.class
class
Rather stupid file format used for storing crystal information.class
Reader that extracts information from the IDENT, NAME, ATOMS and BONDS blocks in CTX files.class
Abstract class that ChemObjectReader's can implement to have it take care of basic stuff, like managing the ReaderListeners.class
Abstract class that ChemObjectReader's can implement to have it take care of basic stuff, like managing the ReaderListeners.class
A reader for GAMESS log file.class
A reader for Gaussian03 output.class
A reader for Gaussian98 output.class
Reads Ghemical ( http://www.uku.fi/~thassine/ghemical/) molecular mechanics (*.mm1gp) files.class
Reads an object from HIN formated input.class
Writer that outputs in the HIN format.class
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) plain text document.class
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) document.class
Deprecated.class
Deprecated.Use V2000 or V3000class
Reads a molecule from an MDL RXN file [Dalby, A. et. al.. Journal of Chemical Information and Computer Sciences. 1992. 32].class
Class that implements the new MDL mol format introduced in August 2002.class
Writes a reaction to a MDL rxn or SDF file.class
Reads content from MDL molfiles and SD files.class
Writes MDL molfiles, which contains a single molecule (see [Dalby, A. et. al.. Journal of Chemical Information and Computer Sciences. 1992. 32]).class
Class that implements the MDL mol V3000 format.final class
Ctab V3000 format output.class
Reads a molecule from an Mol2 file, such as written by Sybyl.class
An output Writer that writes molecular data into the Tripos Mol2 format.class
Reads MOPAC output, extracts several electronic parameters and assigns them as a molecule properties.class
Reader for MoSS output files [Unknown BibTeXML type: BOR2002] which present the results of a substructure mining study.class
Reads an object from ASN formated input for PubChem Compound entries.class
Reads an object from ASN.1 XML formated input for PubChem Compound entries.class
Reads an object from ASN formated input for PubChem Compound entries.class
Reads the contents of a PDBFile.class
Saves small molecules in a rudimentary PDB format.class
Reads an frames from a PMP formated input.class
A reader for Symyx' Rgroup files (RGFiles).class
A writer for Symyx' Rgroup files (RGFiles).
An RGfile describes a single molecular query with Rgroups.class
Generates an RSS feed.class
Writes MDL SD files ([Dalby, A. et. al.. Journal of Chemical Information and Computer Sciences. 1992. 32]).class
A reader for ShelX output (RES) files.class
Serializes a MoleculeSet or a Molecule object to ShelX code.class
This Reader reads files which has one SMILES string on each line, where the format is given as below:class
Writes the SMILES strings to a plain text file.class
Read output files generated with the VASP software.class
Reads an object from XYZ formated input.class
class
It reads Z matrices like in Gaussian input files. -
Uses of ChemObjectIO in org.openscience.cdk.io.iterator
Subclasses of ChemObjectIO in org.openscience.cdk.io.iteratorModifier and TypeClassDescriptionclass
DefaultIteratingChemObjectReader<T extends IChemObject>
Abstract class that IteratingChemObjectReader's can implement to have it take care of basic stuff, like managing the ReaderListeners.class
Iterating PubChem PCCompound ASN reader.class
Iterating PubChem PCCompound ASN.1 XML reader.class
Iterating PubChem PC-Substances ASN.1 XML reader.class
Iterating MDL SDF reader.class
Iterating SMILES file reader. -
Uses of ChemObjectIO in org.openscience.cdk.io.iterator.event
Subclasses of ChemObjectIO in org.openscience.cdk.io.iterator.eventModifier and TypeClassDescriptionclass
Abstract class that IteratingChemObjectReader's can implement to have it take care of basic stuff, like managing the ReaderListeners.class
Reads a molecule in CML 1.x and 2.0 format. -
Uses of ChemObjectIO in org.openscience.cdk.io.program
Subclasses of ChemObjectIO in org.openscience.cdk.io.programModifier and TypeClassDescriptionclass
File writer thats generates input files for Gaussian calculation jobs.class
Prepares input file for running MOPAC. -
Uses of ChemObjectIO in org.openscience.cdk.io.rdf
Subclasses of ChemObjectIO in org.openscience.cdk.io.rdfModifier and TypeClassDescriptionclass
Reads content from a CDK OWL serialization.class
Serializes the data model into CDK OWL.
MDLV2000Reader
should be used instead.