search_pdb_entity
Search PDBj for structures, chemical components, or BIRD molecules. Retrieve detailed fields: experimental method, resolution, bound ligands, formula, SMILES, and citation.
Instructions
Search PDBj for structures, chemical components, or BIRD molecules.
Returns rich, named fields per hit (not just the title) — for pdb,
each result carries the experimental method, resolution, bound ligands,
and citation; for cc, the formula, SMILES, and InChI.
RETURNS a JSON string {"total": int | null, "results": [ {…fields…} ]}.
total is null when PDBj gives no count (typical for structured-filter
searches) — that is NOT zero and does NOT mean "no results"; consult
results directly. On upstream/HTTP failure returns a JSON object with an
error key instead — CHECK FOR error BEFORE reading results.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| db | Yes | The database to search in. Allowed values are: - "pdb" (Protein Data Bank, macromolecular structures) - "cc" (Chemical Component Dictionary, ligands / small molecules) - "prd" (BIRD, Biologically Interesting Reference Molecule Dictionary, mostly peptides). | |
| name | No | ||
| term | No | ||
| limit | No | Max results to return, in [0, 500]. Default 20. | |
| query | No | Free-text keywords. May be empty when at least one structured filter is supplied. Accepts aliases: `search`, `term`, `keyword`, `keywords`, `search_term`, `name`. If both `query` and an alias are given with different values, this raises ValueError (pass only one). | |
| ligand | No | ||
| method | No | ||
| offset | No | Number of leading results to skip (server-side pagination). Default 0. | |
| search | No | ||
| smiles | No | ||
| source | No | ||
| formula | No | ||
| keyword | No | ||
| res_max | No | ||
| res_min | No | ||
| keywords | No | ||
| search_term | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |