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Add missing special tRNA structures (fMet, Ile2, SeC)#26

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add-special-trna-structures
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Add missing special tRNA structures (fMet, Ile2, SeC)#26
jayhesselberth wants to merge 1 commit intodevelfrom
add-special-trna-structures

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@jayhesselberth
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Summary

  • Fix MODOMICS isotype name mismatch in generate_svgs.py that silently excluded fMet, Ile2, and SeC tRNAs (GtRNAdb uses fMet/Ile2/SeC but MODOMICS uses Ini/Ile/Sec)
  • Add SeC-specific covariance model support (TRNAinf-*-SeC.cm) for correct structural alignment of the 95 nt selenocysteine tRNA
  • Generate 4 new structure files: E. coli fMet-CAT, Ile2-CAT, SeC-TCA and H. sapiens SeC-TCA

Test plan

  • devtools::test() passes (479/479)
  • Verify new SVGs render correctly with plot_tRNA_structure()

🤖 Generated with Claude Code

The MODOMICS filter in generate_svgs.py used GtRNAdb isotype names
(fMet, Ile2, SeC) but MODOMICS uses different names (Ini, Ile, Sec),
so these three E. coli tRNAs were silently excluded. Additionally, SeC
tRNAs require a dedicated covariance model for correct structural
alignment due to their extended variable arm.

Changes to generate_svgs.py:
- Add ISOTYPE_TO_MODOMICS mapping for GtRNAdb→MODOMICS name translation
- Add sec_cm to each organism config
- Add split_sec_fasta() to align SeC sequences with TRNAinf-*-SeC.cm

New structure files:
- Escherichia_coli: tRNA-fMet-CAT, tRNA-Ile2-CAT, tRNA-SeC-TCA
- Homo_sapiens: tRNA-SeC-TCA

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
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