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lines changed Original file line number Diff line number Diff line change @@ -387,7 +387,10 @@ def pymol_2_ase(pymol):
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def _optimize_mol (self , mol ):
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"""Optimize a molecule using force field (needed for complex SMILES)."""
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- from openbabel import pybel # pylint:disable=import-error
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+
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+ # Note, the pybel module imported below comes together with openbabel package. Do not confuse it with
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+ # pybel package available on PyPi: https://pypi.org/project/pybel/
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+ import pybel # pylint:disable=import-error
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self .output .value = "Screening possible conformers {}" .format (self .SPINNER ) #font-size:20em;
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@@ -408,7 +411,11 @@ def _optimize_mol(self, mol):
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def _on_button_pressed (self , change ): # pylint: disable=unused-argument
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"""Convert SMILES to ase structure when button is pressed."""
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self .output .value = ""
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- from openbabel import pybel # pylint:disable=import-error
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+
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+ # Note, the pybel module imported below comes together with openbabel package. Do not confuse it with
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+ # pybel package available on PyPi: https://pypi.org/project/pybel/
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+ import pybel # pylint:disable=import-error
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+
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if not self .smiles .value :
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return
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