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contacts

Read-onlyIdempotent

Find atom-index contact pairs between two molecular selections within a cutoff distance at a specific frame.

Instructions

Find atom-index contact pairs between two selections at one frame.

cutoff is in Angstrom. The total contact count is always returned; the explicit pairs list is clipped to max_pairs to keep MCP responses bounded.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
frameNo
cutoffNo
max_pairsNo
structureYes
selection1Yes
selection2Noall
trajectoryNo
Behavior4/5

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

The description adds behavioral details beyond annotations: it explains that cutoff is in Angstrom, total count always returned, and pairs list clipped to max_pairs. These are not present in annotations.

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

Conciseness5/5

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

The description is concise with two sentences and a code block, front-loading the purpose and key behavioral notes. No redundant information.

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

Completeness2/5

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

Given 7 parameters, no parameter descriptions in schema, and no output schema, the description is insufficient. It does not explain the frame parameter, selection2, trajectory, or the structure parameter. The return format is also not described.

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

Parameters2/5

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

The description explains only two parameters (cutoff, max_pairs) indirectly, while there are seven total. Schema description coverage is 0%, so the description should cover more parameters.

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

Purpose5/5

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

The description clearly states 'Find atom-index contact pairs between two selections at one frame', which is a specific verb+resource. It distinguishes itself from sibling tools like 'distance' by focusing on contacts and clipping behavior.

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?

The description provides no guidance on when to use this tool versus alternatives, such as 'distance' or 'rmsd'. It does not specify prerequisites or contexts.

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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