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| convert.implicit.to.explicit | Operations on molecules |
| eval.desc | Evaluate a Molecular Descriptor |
| get.atomic.number | Operations on atoms |
| get.atoms | Get the atoms from a molecule or bond |
| get.bonds | Get the bonds from a molecule |
| get.connected.atom | Get the atom connected to an atom in a bond |
| get.desc.categories | Get Descriptor Class Names |
| get.desc.names | Get Descriptor Class Names |
| get.exact.mass | Operations on molecules |
| get.fingerprint | Evaluate Fingerprints |
| get.point3d | Operations on atoms |
| get.property | Get the Value of a Molecule Property |
| get.smiles | Get the SMILES for a Molecule |
| get.smiles.parser | Get a SMILES Parser |
| get.symbol | Operations on atoms |
| get.total.charge | Get the Total Charge for the Molecule |
| get.total.hydrogen.count | Get the Total Hydrogen Count for a Molecule |
| load.molecules | Load Molecular Structure From Disk |
| parse.smiles | Parse a SMILES String |
| remove.hydrogens | Remove Hydrogens from a Molecule |
| remove.property | Remove A Property From a Molecule |
| set.property | Set A Property On A Molecule |
| view.molecule.2d | View 2D Structure Diagrams |
| write.molecules | Write Molecules To Disk |