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Update patch_mmcif.py to also use pdb_seqres, pdb100, and obsolete.dat, and adds prune function#170

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jscgh:update-patch_mmcif
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Update patch_mmcif.py to also use pdb_seqres, pdb100, and obsolete.dat, and adds prune function#170
jscgh wants to merge 4 commits intousegalaxy-au:masterfrom
jscgh:update-patch_mmcif

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@jscgh jscgh commented Jun 5, 2025

  • Adds pdb_seqres to retrieve the most recent files which were missing from previous script runs
  • Adds obsolete.dat to prevent downloading obsolete files
  • Checks pdb100 as well as pdb70
  • Makes pdb70 optional
  • Adds --prune to move unreferenced files to ./orphaned

@jscgh jscgh changed the title Update patch_mmcif.py to also use pdb_seqres and obsolete.dat Update patch_mmcif.py to also use pdb_seqres, pdb100, and obsolete.dat, and adds prune function Jun 23, 2025
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