API for rcdk
Interface to the 'CDK' Libraries

Global functions
bpdata Man page
cdk.version Man page Source code
cdkFormula-class Man page
cdkFormula.createChemObject Source code
cdkFormula.createFormulaObject Source code
cdkFormula.createObject Source code
cdkFormula.getString Source code
charge Man page
check.class Source code
compare.isotope.pattern Man page Source code
convert.implicit.to.explicit Man page Source code
copy.image.to.clipboard Man page Source code
depict Man page
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
fragment Man page
generate.2d.coordinates Man page Source code
generate.formula 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.bonds Man page Source code
get.charge Man page Source code
get.chem.object.builder Source code
get.connected.atom Man page Source code
get.connected.atoms Man page Source code
get.depictor Man page Source code
get.desc.all.classnames Source code
get.desc.categories Man page Source code
get.desc.engine Source code
get.desc.names Man page Source code
get.desc.values 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.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 Man page Source code
hasNext.iload.molecules Man page Source code
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 Man page Source code
isvalid.formula Man page Source code
javalist.to.rlist Source code
load.molecules Man page Source code
match Man page
matches Man page Source code
mcs Man page
onLoad Source code
parse.smiles Man page Source code
remove.hydrogens Man page Source code
remove.property Man page Source code
set.charge.formula Man page Source code
set.property Man page Source code
show,cdkFormula-method Man page
smarts Man page
smiles.flavors Man page Source code
substructure Man page
trim.whitespace Source code
valid.atom 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
rcdk documentation built on July 21, 2017, 7:18 p.m.