diff --git a/docs/source/input_format.md b/docs/source/input_format.md index 98f0a686..acb02525 100644 --- a/docs/source/input_format.md +++ b/docs/source/input_format.md @@ -55,6 +55,7 @@ All chains must define a unique ```chain_ids``` field and appropriate sequence o { "molecule_type": "protein", "chain_ids": "A", + "description": "Optional metadata example", "sequence": "PVLSCGEWQCL", "use_msas": true, "use_main_msas": true, @@ -72,6 +73,9 @@ All chains must define a unique ```chain_ids``` field and appropriate sequence o - `chain_ids` *(str | list[str], required)* - One or more identifiers for this chain. Used to map sequences to structure outputs. + - `description` *(str | None, optional, default = null) + - Optional metadata to provide for each chain. + - `sequence` *(str, required)* - Amino acid sequence (1-letter codes), supporting standard residues, X (unknown), and U (selenocysteine). diff --git a/openfold3/projects/of3_all_atom/config/inference_query_format.py b/openfold3/projects/of3_all_atom/config/inference_query_format.py index db9e9626..0fa7d209 100644 --- a/openfold3/projects/of3_all_atom/config/inference_query_format.py +++ b/openfold3/projects/of3_all_atom/config/inference_query_format.py @@ -49,6 +49,7 @@ class Chain(BaseModel): } molecule_type: Annotated[MoleculeType, BeforeValidator(_convert_molecule_type)] chain_ids: Annotated[list[str], BeforeValidator(_ensure_list)] + description: str | None = None sequence: str | None = None non_canonical_residues: ( Annotated[dict[int, str], BeforeValidator(_cast_keys_to_int)] | None