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@sarthaktexas sarthaktexas released this 30 Jun 20:09
e188340

Summary

Lean installable package for structural biologists: pip install cryoem-halfmap-qchalfmap-qc CLI.

  • Reliability path: windowed smoothness on z-scored half-map average ρ → reliability_score (ranked) and build_zone MRCs
  • Package boundary: thesis-only code (ROC/AUC, metric comparison, cohort figures, TV curvature) moved to thesis/ — not shipped on PyPI
  • Naming: production metric is reliability_smoothness / windowed_smoothness (legacy reliability_H_repro CSV columns still read)
  • Style: style/palette.py + style/figures.py replace nature.py / thesis_palette.py

Install

pip install cryoem-halfmap-qc
halfmap-qc   # interactive: two half-maps → reliability + build-zone MRCs

Breaking changes

  • Removed public exports for T/L/H mechanics, placement_utility, tv_curvature, and related thesis modules from cryoem_mrc
  • Q-score validation in the package no longer depends on metric_comparison/residue_metrics.csv (uses halfmap reliability bundle instead)