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v0.5.3

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@sarthaktexas sarthaktexas released this 28 Jun 04:04

Summary

  • halfmap-qc reliability now writes only two MRC overlays: {label}_reliability.mrc and {label}_build_zones.mrc
  • Removed PNG/PDF figures, reliability.npz, run_metadata.json, and the --halfmap-npz requirement from the reliability step
  • halfmap-qc analyze no longer writes summary.txt or the default histogram PNG (still produces halfmap_metrics.npz and correlations.csv)
  • B-factor validation and metric comparison moved to repo-local thesis/ (not installed from PyPI)

Install

pip install -U cryoem-halfmap-qc

Minimal pipeline

halfmap-qc features map.mrc --out features.npz --float32
halfmap-qc reliability \
  --reference ref.map --half1 half1.map --half2 half2.map \
  --features features.npz --contour CONTOUR --out-dir reliability_out

Analyze is optional if you only need the reliability and build-zone MRCs.