Bond orders
#1876
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setBonds exists |
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I don't know if we need to do anything else about this but probably we do. There is a somewhat related issue (#798) and I did not find a |
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Extend AtomGroup to store bond orders.
setBondsandaddBonds(to be implemented) should accept list of indices with bond orders (bonds.shape one of (n_bonds, 2) or (n_bonds, 3) with bond order). Also, implementBond.getOrdermethod to be complete.Beta Was this translation helpful? Give feedback.
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