OEChem - C++ Theory Manual Version 1.3.1

Previous: 4. Properties of Molecules Up: 4. Properties of Molecules Next: 4.1.1 Dimension

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4.1 Stored Properties of Molecules

Molecules in OEChem are represented by OEMolBases. In addition to keeping track of the atoms and bonds that constitute a molecule, the OEMolBase is also used to store global information about the molecule. The stored (read-write) properties of a molecule are listed below:

• 4.1.1 Dimension
• 4.1.2 Energy
• 4.1.3 Rxn
• 4.1.4 Title

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 4. Properties of Molecules Up: 4. Properties of Molecules Next: 4.1.1 Dimension

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Documentation released on July 30, 2004.