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5a0e691 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 | import httpx
from typing import Any
from app.tools.base import BaseTool
from app.config import settings
from app.services.cache import ttl_cache
class AlphaFoldTool(BaseTool):
name = "alphafold"
@ttl_cache(ttl=86400, prefix="alphafold")
async def run(self, input: dict) -> dict:
uniprot_accession = input.get("uniprot_accession", "").strip()
if not uniprot_accession:
return {"error": "No UniProt accession provided", "structure_available": False}
result = await self._lookup(uniprot_accession)
return result
async def _lookup(self, accession: str) -> dict:
url = f"{settings.ALPHAFOLD_DB_URL}/{accession}"
async with httpx.AsyncClient(timeout=15) as client:
resp = await client.get(url)
if resp.status_code == 404:
return {
"uniprot_accession": accession,
"structure_available": False,
"message": "No AlphaFold prediction available for this protein",
"pdb_url": None,
"cif_url": None,
"confidence": None,
}
resp.raise_for_status()
data = resp.json()
entry = data[0] if isinstance(data, list) else data
return {
"uniprot_accession": accession,
"structure_available": True,
"pdb_url": entry.get("pdbUrl", ""),
"cif_url": entry.get("cifUrl", ""),
"confidence": entry.get("confidenceScore", None),
"model_created_date": entry.get("modelCreatedDate", ""),
"latest_version": entry.get("latestVersion", 0),
}
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