def dock(self, engine, protein, *args, **kwargs):
        if engine.lower() == 'autodock_vina':
            from oddt.docking import autodock_vina
            engine = autodock_vina(protein, *args, **kwargs)
        else:
            raise ValueError('Docking engine %s was not implemented in ODDT' % engine)
        def _iter_conf(results):
            """ Generator to go through docking results, and put them to pipe """
            for confs in results:
                for conf in confs:
                    yield conf
        if self.n_cpu != 1:
            _parallel_helper_partial = partial(_parallel_helper, engine, 'dock')
            docking_results = self._pool.imap(_parallel_helper_partial, ({'ligands':lig, 'single': True} for lig in self._pipe))
        else:
            docking_results = (engine.dock(lig, single=True) for lig in self._pipe)
        self._pipe = _iter_conf(docking_results)
Set up the global environment.
dataset/ETHPy150Open oddt/oddt/oddt/virtualscreening.py/virtualscreening.dock--crossover with--dataset/ETHPy150Open ravello/testmill/lib/testmill/test/__init__.py/create_environment