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Account for resonance forms during substructure search #125

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cbouy opened this issue Apr 22, 2023 · 0 comments
Open

Account for resonance forms during substructure search #125

cbouy opened this issue Apr 22, 2023 · 0 comments
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enhancement New feature or request

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@cbouy
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cbouy commented Apr 22, 2023

Currently ProLIF uses mol.GetSubstructMatches but could benefit from Chem.ResonanceMolSupplier(mol).GetSubstructMatches as an alternate backend for substructure search.

Relates to #24
@cbouy cbouy added the enhancement New feature or request label Apr 22, 2023
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