Skip to main content
Glama

map_reaction_atoms

Read-only

Predict which reactant atom each product atom came from (atom-to-atom mapping) with RXNMapper (Schwaller et al., Sci.

Input Schema

NameRequiredDescriptionDefault
_filesNoThe project: record references shaped like _subject. Their records become library documents a tool names in sequences/parts/document; a trace or alignment is found by file name.
_subjectNoThe record to act on: exactly one of sequence, accession (+source), sample (an id from list_samples) or file ({name, text} or {name, base64}); record_index picks one record of several.
reactionYesreaction SMILES, reactants>agents>products; existing atom maps are ignored.

Output Schema

NameRequiredDescriptionDefault
mappedYesthe canonicalised reaction SMILES with atom maps
confidenceYesthe product of the per-atom confidences, 0 to 1

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

C2.9/5.0
Behavior3/5

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

Annotations already declare readOnlyHint=true, destructiveHint=false, and openWorldHint=false, so the safety profile is covered. The description adds real value by naming the algorithm (RXNMapper), which tells the agent results come from a learned model rather than a deterministic rule set, but it says nothing about failure modes, confidence, or handling of unmappable atoms, and the text is truncated.

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 single sentence is front-loaded with the useful purpose statement, but it terminates mid-citation ('Sci.'), leaving dangling, non-actionable text. Being short is good here; being truncated is a structural defect.

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?

An output schema exists, so return values need not be explained, and the purpose is legible. However, for a tool with a nested _subject object and an unused-looking _files array, the description offers no clarification of what input actually matters (the reaction SMILES) or what the model does when mapping fails.

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%, including the note that existing atom maps are ignored, so the schema already carries the parameter meaning. The description adds no further detail on the reaction string format or on how _subject/_files interact with this tool, so the baseline 3 applies.

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?

Names a specific verb+resource: predicting atom-to-atom mapping (which reactant atom each product atom came from), and names the underlying method (RXNMapper, Schwaller et al.). It is distinguishable from unrelated chemical siblings such as canonical_tautomer or enumerate_reaction, though the sentence is cut off mid-citation so the scope statement is incomplete.

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 when-to-use guidance, no prerequisites (e.g. that the input needs valid reaction SMILES), and no mention of alternative or follow-up tools. The agent must infer entirely from the name and schema that this is the mapping step in a reaction-analysis workflow.

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

Try in Browser

Glama MCP Gateway

Add one secure layer between your agents and this server.

Resources