Aleaverfay/bump check#363

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aleaverfay wants to merge 23 commits intomasterfrom

aleaverfay/bump_check

Commits on Apr 8, 2026

Commits on Apr 10, 2026

Update SA. Change code so warp calculates single rot change. reduce nthreads, increase length of traj.
fdimaio
committed
Grab bag of changes: a) fix 1H/2H flips on ASN and GLN; b) add a distance check in biotite-to-pose-stack to properly handle missing density; c) set semirotameric prob cumsum to 0.98 (was 0.95)
fdimaio
committed

Commits on Apr 13, 2026

Bugfix for chi1 corrections: since they are backbone-depoendent, we cannot compute them in advance and stash in PBT. Revert back to computing at build-time.
fdimaio
committed
First pass implementation of bump check / background node elimination
aleaverfay
committed

Commits on Apr 14, 2026

Commits on Apr 15, 2026

Merge remote-tracking branch 'origin/dimaio/packing_modifications' into aleaverfay/bump_check
aleaverfay
committed

Commits on Apr 20, 2026