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Published 20 hours ago • verified publisher icon gcorso

Check for rotatable bonds

Open RishalAggarwal opened this issue 1 year ago • 0 comments

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?

RishalAggarwal avatar May 22 '23 18:05 RishalAggarwal