rcsb_get_chem_comps
Fetch chemical components and ligands by short codes (e.g., HEM, ATP) returning name, formula, weight, type, SMILES, InChIKey. Unknown IDs are grouped under not_found.
Instructions
Fetch chemical components / ligands by their short codes, e.g. ["HEM", "ATP"].
Default fields: name, formula, weight, type, SMILES, InChIKey.
Args: comp_ids: chemical-component short codes, e.g. ["HEM", "ATP"]. Unknown IDs are returned under "not_found". fields: Optional GraphQL selection replacing the curated default (e.g. "chem_comp.name"); discover/verify paths with rcsb_describe_data_object("chem_comps") (see the server instructions).
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| fields | No | ||
| comp_ids | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||