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Some R-groups end with many conformers that are identical - Symmetry Issue? #54

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bieniekmateusz opened this issue Nov 3, 2023 · 0 comments

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@bieniekmateusz
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bieniekmateusz commented Nov 3, 2023

This happens when adding this R-group:
'*C(=O)N(C)C'

Specifically, potentially the methyl groups get mixed up, and different methyls correspond to each other, even though they occupy exactly the same 3D space.

So these conformers have a large RMSD and are therefore seen as different.

Thanks @AsmaFeriel000

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