Package schrodinger :: Package application :: Package mopac :: Module mopac_api

Module mopac_api

This is the top-level interface for running MOPAC calculations with Schrodinger python scripts. It should be agnostic to the MOPAC version.

A MopacAPI class should be instantiated with an argument requesting the MOPAC release to be executed. It can then be used to launch MOPAC jobs directly with a .mop filename or by passing a Schrodinger Structure object and MOPAC keywords.

Classes

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CmdlineParser

MopacAPI
This class is an API for the MOPAC backend.

Variables

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MOPAC_MODE = 'mopac'