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Summary

  • warn once when occupancy is missing using maxlog=1
  • avoid state flag and strip occupancy and B-factor once
  • use Unicode comparison operators
  • extend short PDB sample and regression test

Testing

  • julia --project -e 'push!(LOAD_PATH, "test"); using MIToSTests; MIToSTests.retest("PDB"); MIToSTests.retest("PDB")'
  • julia --project -e 'using Pkg; Pkg.test(coverage=true)' (interrupted: tests hung)

https://chatgpt.com/codex/tasks/task_b_684c33668ea4832d9a11ee331974d510

@diegozea diegozea merged commit 5f1bf92 into master Jun 13, 2025
6 of 8 checks passed
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2 participants