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measure_dihedral

Measure the dihedral angle in degrees defined by four single-atom selections to assess molecular conformation and torsion.

Instructions

Measure the dihedral (degrees) defined by four single-atom selections.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
atom1YesSingle-atom selection.
atom2YesSingle-atom selection.
atom3YesSingle-atom selection.
atom4YesSingle-atom selection.

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior2/5

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

With no annotations provided, the description carries the full burden of behavioral disclosure. It simply states 'Measure the dihedral (degrees)' without mentioning potential side effects (e.g., creating a measurement object in the session), ensuring valid selections, or read-only nature. This is insufficient for an AI agent to predict the tool's full behavior.

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 a single sentence that is clear, front-loaded, and contains no extraneous information. Every word earns its place by specifying the action, unit, and selection requirements.

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?

The description covers the essential aspects for a simple measurement tool: what is measured, in what unit, and the parameter requirements. The existence of an output schema presumably documents the return value. However, the lack of any side-effect disclosure or annotation guidance leaves a small gap in completeness.

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% and each parameter description already says 'Single-atom selection,' so the schema handles parameter meaning. The tool description adds minimal extra value by reinforcing that the four parameters define the dihedral, but it does not provide additional syntax or semantic context beyond what the schema already documents. Baseline of 3 is appropriate.

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 uses the specific verb 'Measure' with the resource 'dihedral' and specifies 'degrees' and 'four single-atom selections,' clearly distinguishing it from sibling measurement tools like measure_distance and measure_angle. The purpose is unambiguous and actionable.

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

Usage Guidelines3/5

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

The description implies usage for dihedral measurements via the phrase 'defined by four single-atom selections,' but it does not explicitly state when to use this tool versus alternatives like measure_distance or measure_angle. No exclusions or alternative references are provided, so usage guidance is implied rather than explicit.

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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