Molecule

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DomainObject
Name:Molecule
Bioclipse version:2.0
Repository:Bioclipse.cheminformatics
Wiki page last updated:2010-02-11
Tags:




Basic domain object for a lot of the cheminformatics functionality. All managers who want to pass around chemical graphs, need to use this domain object.

Know Implementations

 Bioclipse versionPart of repository
CDKMolecule2.0Bioclipse.cheminformatics
JmolMolecule2.4Bioclipse.cheminformatics
SMILESMolecule2.0Bioclipse.cheminformatics

Serialization

An Molecule domain object can be expected to be serialized in at least one of SMILES and CML; the former for mostly the chemical graph. Serialization to CML is required if you want to keep 2D and/or 3D coordinates.