OEChem - Java Theory Manual
Previous:
5.3 C++-style Iteration
Up:
OEChem - Java Theory
Next:
6.1 Stored Properties of
6. Properties of Molecules
Subsections
6.1 Stored Properties of Molecules
6.1.1 Dimension
6.1.2 Energy
6.1.3 Rxn
6.1.4 Title
6.2 Derived Properties of Molecules
6.2.1 NumAtoms, NumBonds
6.2.2 GetMaxAtomIdx, GetMaxBondIdx
6.2.3 GetAtom, GetBond
6.2.4 GetAtoms, GetBonds
6.3 Manipulation of Tagged Data
6.3.1 Manipulating SD Tagged Data
6.3.1.1 Storing SD Data on a Molecule
6.3.1.2 Retrieving SD Data from a Molecule
6.3.1.3 Copying SD Data
6.3.1.4 Deleting SD Data from a Molecule
6.3.1.5 SD Data Example
6.3.2 Manipulating PDB Tagged Data
6.3.2.1 Storing PDB Data on a Molecule
6.3.2.2 Retrieving PDB Data from a Molecule
6.3.2.3 Copying PDB Data
6.3.2.4 Deleting PDB Data from a Molecule
6.3.3 Multi-conformer molecules
OEChem - Java Theory Manual
Previous:
5.3 C++-style Iteration
Up:
OEChem - Java Theory
Next:
6.1 Stored Properties of
Documentation released on June 4, 2008.
