cbouy / mols2grid

Interactive molecule viewer for 2D structures

Home Page:https://mols2grid.readthedocs.io

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Substructure query highlighting wrong atoms

cbouy opened this issue · comments

Performing a substructure query on molecules with explicit hydrogens currently highlights the wrong atoms.

Adding removeHs=True fixes the problem but removes hydrogens from the picture which might be problematic depending on the use case.
Another more radical option (not really a solution) is to use substruct_highlight=False to remove the highlighting...