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Fix strategy for searching conformations in bridged ring systems #99

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d-b-w opened this issue Jun 10, 2021 · 0 comments
Open

Fix strategy for searching conformations in bridged ring systems #99

d-b-w opened this issue Jun 10, 2021 · 0 comments

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@d-b-w
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d-b-w commented Jun 10, 2021

In #98, we disabled CoordgenFlipRingDOF. CoordgenFlipRingDOF was intended to swap between structures like the ones here below, in case for instance there were substituents on the nitrogen.

121490593-76022080-c9d5-11eb-9acc-56247ff57654

But the way it was implemented didn't work. We should reactivate this DOF and make sure that it works.
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