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Add Ramachandran errorbar plot and per-residue frame plots#19

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ainaadekunle merged 6 commits intoaai-research-lab:mainfrom
Paradoxicaly:main
Feb 12, 2026
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Add Ramachandran errorbar plot and per-residue frame plots#19
ainaadekunle merged 6 commits intoaai-research-lab:mainfrom
Paradoxicaly:main

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  • Combine phi/psi means into an average Ramachandran plot with horizontal and vertical std error bars
  • When residues are selected, also generate per-residue frame-level Ramachandran scatter plots
  • Keep per-residue plot paths in results for downstream use

- Accept residue/residue_selection aliases for phi/psi/omega and combined dihedrals without warnings
- Preserve residue filtering in combined dihedrals and align warning handling with other analyses
- Add tests for residue alias parsing and filtered outputs across dihedral analyses
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codecov bot commented Feb 12, 2026

Codecov Report

❌ Patch coverage is 73.17073% with 22 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/fastmdanalysis/analysis/dihedrals.py 73.17% 8 Missing and 14 partials ⚠️

📢 Thoughts on this report? Let us know!

@ainaadekunle ainaadekunle merged commit 353aad5 into aai-research-lab:main Feb 12, 2026
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