19 lines
378 B
Python
19 lines
378 B
Python
# from .patch_gaussian import GSUB
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from .rdkit2ase import MolToAtoms,AtomsToMol
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from .rdkit_utils import draw2D,draw3D
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from rdkit.Chem import AllChem
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from rdkit import Chem
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from ase import atoms
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# import patch_gaussian as gaussian
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__all__ = [
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# 'GSUB',
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'MolToAtoms',
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'AtomsToMol',
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'draw2D',
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'draw3D',
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'Chem',
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'AllChem',
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'atoms',
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'gaussian'
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] |