AlphaPulldown/test/test_data/features/rna.json at main - AlphaPulldown - Gitea: Git with a cup of tea

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Dima fc41c1a5eb AF3 templates: fix mmCIF parsing by removing synthetic _entity_poly_seq and mapping only present residues

- Strip _entity_poly_seq from generated template mmCIF so AF3 reconstructs _pdbx_poly_seq_scheme from _atom_site, avoiding UNK/gap mismatches
- Build query_to_template_map using only residues with atoms to prevent OOB indexing in template features
- Add --debug_templates flag to optionally dump generated template mmCIFs into templates_debug/
- Keep templates enabled; test test__chopped_dimer now passes

2025-08-12 14:04:33 +02:00

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 {
     "dialect": "alphafold3",
     "version": 1,
     "name": "RNA chain",
     "modelSeeds": [42],
     "sequences": [
       {
         "rna": {
           "id": "R",
           "sequence": "GGCGGCGGCGGC",
           "unpairedMsa": ">sequence_0\nGGCGGCGGCGGC",
           "modifications": []
         }
       }
     ]
   }