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get_molecules_api_pdb_entry_molecules__pdb_id__get

Read-only

Retrieves comprehensive molecular details for a given PDB entry, including entity types, sequence data, chain assignments, source organisms, and ligand information.

Instructions

Returns summarised detailed information about each molecule (or entity in mmcif-speak) in a specified PDB entry, including entity type; molecule names mapped from UniProt; the synonym field (equivalent to _entity.pdbx_description) for polymeric entities; DrugBank-derived synonyms for ligands; sequence data; chain assignments; copy numbers; source organism and sample preparation details; and ligand or chemical component information.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
pdb_idYes4-character PDB id code. title: Pdb Id description: 4-character PDB id code.
entity_idNoEntity id (molecule number in mmcif-speak).
Behavior3/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

Annotations already indicate readOnlyHint=true and destructiveHint=false, so the description does not need to reiterate safety. It adds value by detailing the rich return content, but provides no additional behavioral context like pagination or performance.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness2/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is a single, lengthy sentence listing many details without breaks or structure. It is not concise and could be improved with bullet points or shorter sentences.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness4/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

For a read-only retrieval tool with no output schema, the description comprehensively covers the return information, including entity types, molecular names, sequences, and more. It could be more explicit about the optional entity_id filter, but overall is complete.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema coverage is 100%, so parameters are well-described. The tool description does not add extra meaning beyond the schema. Baseline 3 is appropriate.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose4/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool returns summarised detailed information about each molecule in a PDB entry, listing specific data types. This distinguishes it from sibling tools that return chains, binding sites, etc., though it does not explicitly differentiate.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

No guidance on when to use this tool versus alternatives (e.g., get_chains, get_mappings). The description only states what it returns, leaving the agent to infer usage context.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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