API for rcdk
Interface to the 'CDK' Libraries
| Global functions | |
|---|---|
| .cdkFormula.createChemObject | Source code |
| .cdkFormula.createFormulaObject | Source code |
| .cdkFormula.createObject | Source code |
| .cdkFormula.getString | Source code |
| .check.class | Source code |
| .get.desc.all.classnames | Source code |
| .get.desc.engine | Source code |
| .get.desc.values | Source code |
| .javalist.to.rlist | Source code |
| .onLoad | Source code |
| .trim.whitespace | Source code |
| .valid.atom | Source code |
| Atoms | Man page |
| Molecule | Man page |
| bpdata | Man page |
| cdk.version | Man page Source code |
| cdkFormula-class | Man page |
| charge | Man page |
| compare.isotope.pattern | Man page Source code |
| convert.implicit.to.explicit | Man page Source code |
| copy.image.to.clipboard | Man page Source code |
| deprecated_rcdk_function | Man page Source code |
| do.aromaticity | Man page Source code |
| do.isotopes | Man page Source code |
| do.typing | Man page Source code |
| eval.atomic.desc | Man page Source code |
| eval.desc | Man page Source code |
| generate.2d.coordinates | Man page Source code |
| generate.formula | Man page Source code |
| generate.formula.iter | Man page Source code |
| get.adjacency.matrix | Man page Source code |
| get.alogp | Man page Source code |
| get.atom.count | Man page Source code |
| get.atom.index | Man page Source code |
| get.atomic.desc.names | Man page Source code |
| get.atomic.number | Man page Source code |
| get.atoms | Man page Source code |
| get.bond.order | Man page Source code |
| get.bonds | Man page Source code |
| get.charge | Man page Source code |
| get.chem.object.builder | Man page Source code |
| get.connected.atom | Man page Source code |
| get.connected.atoms | Man page Source code |
| get.connection.matrix | Man page Source code |
| get.depictor | Man page Source code |
| get.desc.categories | Man page Source code |
| get.desc.names | Man page Source code |
| get.element.types | Man page Source code |
| get.exact.mass | Man page Source code |
| get.exhaustive.fragments | Man page Source code |
| get.fingerprint | Man page Source code |
| get.formal.charge | Man page Source code |
| get.formula | Man page Source code |
| get.hydrogen.count | Man page Source code |
| get.isotope.pattern.generator | Man page Source code |
| get.isotope.pattern.similarity | Man page Source code |
| get.isotopes.pattern | Man page Source code |
| get.largest.component | Man page Source code |
| get.mcs | Man page Source code |
| get.mol2formula | Man page Source code |
| get.murcko.fragments | Man page Source code |
| get.natural.mass | Man page Source code |
| get.point2d | Man page Source code |
| get.point3d | Man page Source code |
| get.properties | Man page Source code |
| get.property | Man page Source code |
| get.smiles | Man page Source code |
| get.smiles.parser | Man page Source code |
| get.stereo.types | Man page Source code |
| get.stereocenters | Man page Source code |
| get.symbol | Man page Source code |
| get.title | Man page Source code |
| get.total.charge | Man page Source code |
| get.total.formal.charge | Man page Source code |
| get.total.hydrogen.count | Man page Source code |
| get.tpsa | Man page Source code |
| get.volume | Man page Source code |
| get.xlogp | Man page Source code |
| hasNext | Source code |
| hasNext.iload.molecules | Source code |
| hydrogen | Man page |
| iload.molecules | Man page Source code |
| is.aliphatic | Man page Source code |
| is.aromatic | Man page Source code |
| is.connected | Man page Source code |
| is.in.ring | Man page Source code |
| is.neutral | Man page Source code |
| is.subgraph | Source code |
| isvalid.formula | Man page Source code |
| load.molecules | Man page Source code |
| match-SMARTS | Man page |
| matches | Man page Source code |
| parse.smiles | Man page Source code |
| rcdk-deprecated | Man page |
| remove.hydrogens | Man page Source code |
| remove.property | Man page Source code |
| set.atom.types | Man page Source code |
| set.charge.formula | Man page Source code |
| set.property | Man page Source code |
| set.title | Man page Source code |
| show,cdkFormula-method | Man page |
| smiles.flavors | Man page Source code |
| view.image.2d | Man page Source code |
| view.molecule.2d | Man page Source code |
| view.table | Man page Source code |
| write.molecules | Man page Source code |
