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schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
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Allow two penalties to be used in getCurrentPenalty #96

Closed rachelnwalker closed 3 years ago

rachelnwalker commented 3 years ago

I noticed some chains were flipped, and I think it was because the FLIP_CONSTRAINED_FRAGMENT_PENALTY was not being applied when BREAK_CHAIN_PENALTY was. I should've fixed this in the last PR :)