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Rewrite the torsion class #207

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qzhu2017 opened this issue Sep 27, 2022 · 0 comments

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qzhu2017 commented Sep 27, 2022

We want to rewrite the torsion class so that it outputs

T1: flexible torsions
T2: non-aromatic rings and the corresponding torsion infos
Generate enough conformers to cover both T1 and T2 variations.

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