OEChem - Python Theory Manual Version 1.3.1

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3.1 Creating Molecule Objects

At the center of OEChem are the molecule objects. The example below represents the smallest possible Python/OEChem script. This program creates an OEMol called mol when run. When the program ends, Python automatically cleans up the object.

from openeye.oechem import *
mol = OEMol()

There may be times when you want to delete (destroy) a molecule before the end of the script. This can easily be done by using the built-in command, del.

from openeye.oechem import *
mol = OEMol()
del(mol)

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				OEChem - Python Theory Manual Version 1.3.1

Previous: 3. Manipulating Molecules Up: 3. Manipulating Molecules Next: 3.2 Reusing Molecules

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Documentation released on July 30, 2004.