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Describe the bug
While you calculate covalent edges based on atomic distances, you check whether two atoms are in the same chain or not. The condition you use there is wrong, and will always return False.
Describe the bug
While you calculate covalent edges based on atomic distances, you check whether two atoms are in the same chain or not. The condition you use there is wrong, and will always return False.
To Reproduce
Steps to reproduce the behavior:
not (chain_1 and chain_2)
condition is always False.To Fix
Replace to
not (chain_1 == chain_2)
for the expected behavior.best, Eyal
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