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PR Summary:

Fix bug pointed out in #1279 saving using parmed savers when not passing residue information, which affects the .pdb file outputs.

PR Checklist


  • Includes appropriate unit test(s)
  • Appropriate docstring(s) are added/updated
  • Code is (approximately) PEP8 compliant
  • Issue(s) raised/addressed?

@CalCraven CalCraven linked an issue Nov 7, 2025 that may be closed by this pull request
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codecov bot commented Nov 7, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 85.92%. Comparing base (77430fe) to head (ca29e45).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #1281   +/-   ##
=======================================
  Coverage   85.92%   85.92%           
=======================================
  Files          52       52           
  Lines        4845     4845           
=======================================
  Hits         4163     4163           
  Misses        682      682           

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@CalCraven CalCraven merged commit 923b9e0 into mosdef-hub:main Nov 10, 2025
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Successfully merging this pull request may close these issues.

Adding Residues to exported pdbs of polymers

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