Created
December 20, 2024 16:29
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rotate_a_bond.ipynb
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@greglandrum thank you for your fast reply! You're right—this feature I was hoping to implement is already achievable using the existing rdMolTransforms.SetDihedralDeg() function in RDKit.
In this light, it seems my proposed changes were essentially a duplication of existing functionality, and your explanation has cleared that up perfectly.