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Release v2.4.3

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@github-actions github-actions released this 28 Apr 18:45
· 74 commits to main since this release
v2.4.3
6aa04ae
  • bugfix: generic single-residue patches (NTER, CTER, GLUP, ASPP, NNEU, and custom patches) recorded in REMARKS patch lines of an input PSF were silently dropped when a psfgen task followed a continuation task; PSFContents now extracts these patches into generic_patches and AsymmetricUnit propagates them through the objmanager pipeline so they are re-emitted as first/last/patch commands in the new psfgen script
  • bugfix: ring_check task now operates correctly without an XSC file (vacuum / non-periodic systems); previously the task assumed a periodic box was always available; in non-periodic mode the bounding box is derived from coordinate extents and minimum-image wrapping is skipped
  • test: added tests/unit/test_tasks/test_psfgen.py — slow regression test that builds a vacuum BPTI PSF/PDB (6pti, mirroring example 1), then loads it via a continuation task and re-runs psfgen with one non-cysteine mutation, verifying that all three DISU patch REMARK records survive into the stage-2 PSF
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