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molecules_ent_molecules_id_1cb4fd01

Read-only

Retrieve summarised molecule or entity details for a PDB entry, including names, sequences, chains, ligands, source organism, and chemical component data.

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).

Schema Changelog

Changes observed during successful MCP inspections.

  1. Addedv1.1.10

TDQS

B3.1/5.0
Behavior3/5

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

Annotations already declare readOnlyHint=true, destructiveHint=false and idempotentHint=false, covering the safety profile. The description adds value by enumerating the returned content (UniProt names, DrugBank synonyms, sequences, chains, copy numbers, source organism), which matters because no output schema exists, but it says nothing about behavior when entity_id is omitted or how errors are handled.

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

Conciseness3/5

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

One front-loaded sentence with the core purpose first, which is good. But the field enumeration is a long, comma-heavy list with mild redundancy ('summarised detailed information') and it duplicates the title verbatim, making it dense without much structure.

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

Completeness3/5

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

With no output schema, enumerating return fields is the right move and the description does that. Gaps remain: it does not explain what happens if the optional entity_id is omitted, and it does not relate the tool to the numerous sibling entity tools, so the agent lacks routing context.

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 description coverage is 100% and both parameters (pdb_id, entity_id) are documented in the schema, so the baseline is 3. The description clarifies the mmcif meaning of 'entity' but adds no format or optionality detail beyond the schema.

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?

States a specific verb and resource: returns summarised information about each molecule/entity in a given PDB entry, and enumerates the returned fields. However, it never distinguishes itself from entity-level siblings like bound_molecules, ligand_sum, or doms_ent that also operate on a PDB id / entity id.

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?

There is no guidance on when to choose this tool over the many entity-level siblings, nor any mention of prerequisites or exclusions. The agent must infer usage from the field list alone.

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