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Check for rotatable bonds #14

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RishalAggarwal opened this issue May 22, 2023 · 0 comments
Open

Check for rotatable bonds #14

RishalAggarwal opened this issue May 22, 2023 · 0 comments

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@RishalAggarwal
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Hi, I had a question about how you check if a bond is rotatable, it seems you do it by checking if a networkx graph is fully connected after removing that bond - but do you take into account the bond order anywhere?
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@RishalAggarwal