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.. (parent) |
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rwxr-xr-x |
2,402 |
Atoms.Rd
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rwxr-xr-x |
1,610 |
Molecule.Rd
|
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rwxr-xr-x |
785 |
bpdata.Rd
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- |
rwxr-xr-x |
414 |
cdk.version.Rd
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- |
rwxr-xr-x |
867 |
cdkFormula-class.Rd
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- |
rwxr-xr-x |
1,019 |
compare.isotope.pattern.Rd
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- |
rwxr-xr-x |
928 |
convert.implicit.to.explicit.Rd
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- |
rwxr-xr-x |
516 |
copy.image.to.clipboard.Rd
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- |
rwxr-xr-x |
343 |
do.aromaticity.Rd
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- |
rwxr-xr-x |
310 |
do.isotopes.Rd
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- |
rwxr-xr-x |
687 |
eval.atomic.desc.Rd
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- |
rwxr-xr-x |
694 |
eval.desc.Rd
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- |
rwxr-xr-x |
1,070 |
generate.2d.coordinates.Rd
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- |
rwxr-xr-x |
690 |
generate.formula.Rd
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- |
rwxr-xr-x |
842 |
generate.formula.iter.Rd
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rwxr-xr-x |
766 |
get.adjacency.matrix.Rd
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rwxr-xr-x |
394 |
get.alogp.Rd
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- |
rwxr-xr-x |
499 |
get.atom.count.Rd
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- |
rwxr-xr-x |
648 |
get.atom.index.Rd
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- |
rwxr-xr-x |
678 |
get.atomic.desc.names.Rd
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- |
rwxr-xr-x |
404 |
get.atomic.number.Rd
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- |
rwxr-xr-x |
585 |
get.atoms.Rd
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rwxr-xr-x |
740 |
get.bond.order.Rd
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rwxr-xr-x |
535 |
get.bonds.Rd
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rwxr-xr-x |
624 |
get.charge.Rd
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rwxr-xr-x |
1,153 |
get.chem.object.builder.Rd
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rwxr-xr-x |
742 |
get.connected.atom.Rd
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rwxr-xr-x |
623 |
get.connected.atoms.Rd
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- |
rwxr-xr-x |
785 |
get.connection.matrix.Rd
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- |
rwxr-xr-x |
823 |
get.depictor.Rd
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rwxr-xr-x |
475 |
get.desc.categories.Rd
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- |
rwxr-xr-x |
599 |
get.desc.names.Rd
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rwxr-xr-x |
936 |
get.element.types.Rd
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rwxr-xr-x |
318 |
get.exact.mass.Rd
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rwxr-xr-x |
1,634 |
get.exhaustive.fragments.Rd
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rwxr-xr-x |
4,164 |
get.fingerprint.Rd
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rwxr-xr-x |
531 |
get.formal.charge.Rd
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rwxr-xr-x |
342 |
get.formula.Rd
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rwxr-xr-x |
621 |
get.hydrogen.count.Rd
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rwxr-xr-x |
785 |
get.isotope.pattern.generator.Rd
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rwxr-xr-x |
798 |
get.isotope.pattern.similarity.Rd
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rwxr-xr-x |
407 |
get.isotopes.pattern.Rd
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rwxr-xr-x |
1,076 |
get.largest.component.Rd
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rwxr-xr-x |
484 |
get.mcs.Rd
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rwxr-xr-x |
391 |
get.mol2formula.Rd
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rwxr-xr-x |
1,951 |
get.murcko.fragments.Rd
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- |
rwxr-xr-x |
328 |
get.natural.mass.Rd
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rwxr-xr-x |
722 |
get.point2d.Rd
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- |
rwxr-xr-x |
732 |
get.point3d.Rd
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- |
rwxr-xr-x |
1,009 |
get.properties.Rd
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- |
rwxr-xr-x |
1,029 |
get.property.Rd
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- |
rwxr-xr-x |
1,406 |
get.smiles.Rd
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rwxr-xr-x |
828 |
get.smiles.parser.Rd
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- |
rwxr-xr-x |
1,019 |
get.stereo.types.Rd
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rwxr-xr-x |
670 |
get.stereocenters.Rd
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rwxr-xr-x |
377 |
get.symbol.Rd
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rwxr-xr-x |
561 |
get.title.Rd
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rwxr-xr-x |
328 |
get.total.charge.Rd
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rwxr-xr-x |
363 |
get.total.formal.charge.Rd
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rwxr-xr-x |
823 |
get.total.hydrogen.count.Rd
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rwxr-xr-x |
388 |
get.tpsa.Rd
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rwxr-xr-x |
441 |
get.volume.Rd
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rwxr-xr-x |
394 |
get.xlogp.Rd
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- |
rwxr-xr-x |
1,951 |
iload.molecules.Rd
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- |
rwxr-xr-x |
556 |
is.aliphatic.Rd
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- |
rwxr-xr-x |
581 |
is.aromatic.Rd
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rwxr-xr-x |
992 |
is.connected.Rd
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rwxr-xr-x |
550 |
is.in.ring.Rd
|
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- |
rwxr-xr-x |
525 |
is.neutral.Rd
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rwxr-xr-x |
382 |
isvalid.formula.Rd
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- |
rwxr-xr-x |
2,388 |
load.molecules.Rd
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rwxr-xr-x |
449 |
matches.Rd
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rwxr-xr-x |
1,863 |
parse.smiles.Rd
|
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- |
rw-r--r-- |
932 |
rcdk-deprecated.Rd
|
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rwxr-xr-x |
762 |
remove.hydrogens.Rd
|
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- |
rwxr-xr-x |
949 |
remove.property.Rd
|
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rw-r--r-- |
590 |
set.atom.types.Rd
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rwxr-xr-x |
378 |
set.charge.formula.Rd
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rwxr-xr-x |
1,032 |
set.property.Rd
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rwxr-xr-x |
588 |
set.title.Rd
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rwxr-xr-x |
2,219 |
smiles.flavors.Rd
|
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- |
rwxr-xr-x |
381 |
view.image.2d.Rd
|
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rwxr-xr-x |
652 |
view.molecule.2d.Rd
|
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rw-r--r-- |
513 |
view.table.Rd
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rwxr-xr-x |
1,358 |
write.molecules.Rd
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