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dihedral

Measure the dihedral angle between four atom selections to analyze torsion in molecular structures.

Instructions

Measures the dihedral angle between four selections

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
nameNo
selection1No(pk1)
selection2No(pk2)
selection3No(pk3)
selection4No(pk4)

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior2/5

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

The description implies a read-only measurement operation but does not state side effects, output format, or behavior such as whether it computes in degrees or radians. With no annotations, the description should disclose more about the tool's behavior beyond the bare verb.

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?

The description is a single short sentence, which is concise, but for a tool with multiple parameters and no other documentation, it may be too minimal. It could be slightly longer without losing conciseness.

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 the tool has five parameters, no annotations, and an output schema (not detailed), the description is inadequate. It does not cover parameter semantics, return value, or usage context. More information is needed for an agent to use it correctly.

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

Parameters1/5

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

Schema coverage is 0% and the description fails to explain the meaning of the five parameters (name, selection1-4). It only says 'between four selections' but does not clarify that selections refer to atom selections, nor does it explain the purpose of the 'name' parameter. The defaults like '(pk1)' are cryptic without context.

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 the tool's function: measuring a dihedral angle between four selections, which distinguishes it from sibling 'angle' (which typically handles three-point angles). The verb 'measures' and resource 'dihedral angle' are specific and unambiguous.

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 is provided on when to use this tool versus alternatives like 'angle' or 'distance'. There is no mention of prerequisites, typical use cases, or conditions that would make dihedral measurement appropriate.

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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