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ReactionMechanismGenerator / RMG-Py Public

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Aromatic Oxygen (and Nitrogen, for that matter)#354

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rwest wants to merge 4 commits intomasterReactionMechanismGenerator/RMG-Py:masterfrom

aromaticOReactionMechanismGenerator/RMG-Py:aromaticOCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Closed

Aromatic Oxygen (and Nitrogen, for that matter)#354
rwest wants to merge 4 commits intomasterfrom
aromaticO

Commits

Commits on Mar 13, 2015

Create an Ob AtomType for aromatic oxygens.
rwest
committed
Molecule().getAromaticResonanceIsomers now checks rings of any size and atom type.
rwest
committed
Molecule().isAromatic() now returns True for any sized ring of any Xb.
rwest
committed
Adding 'Ob' atomtype to specific list for atomtype 'O'.
connie
committed

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