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Description
@cbayly13 pointed out an internal issue with oedepict today. When it is used to depict a molecule it flattens it. So the coordinates are lost.
This is used in a few places in this repository:
SmartsDepict.py
substructRemove.py
smiAmberize.py
oebHasAmberParams.py
oebToAmberMol2TopCrd.py
smartsDepict.ipynb
substrucDepict.ipynb
Instead a copy of the molecule should be used for the depiction, for example:
def depict(input_mol):
mol = OEGraphMol(input_mol)
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