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Alierkn
by Alierkn

solvate

Fill a molecular box with solvent molecules and update the topology for simulation.

Instructions

Fill a box with solvent and update the topology.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
boxNo
outputNosolv.gro
solventNospc216.gro
workdirYes
topologyYes
structureNo
extra_argsNo

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior3/5

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

Annotations indicate mutation and potential side effects (readOnlyHint=false, openWorldHint=true). The description adds minimal behavioral context beyond 'update the topology', which is consistent with annotations but does not elaborate on side effects like file creation or system modifications.

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 sentence, appropriately concise, but it sacrifices necessary detail for brevity. It is not overly verbose, but under-specification reduces clarity.

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?

With 7 parameters, 2 required, and zero schema descriptions, the description fails to cover necessary usage context. The output schema exists but is not referenced in the description, so the agent lacks understanding of return values.

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 description coverage is 0%, and the description does not explain any parameter meanings. The agent must infer from parameter names alone, which is insufficient for correct invocation.

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?

The description clearly states the action (fill a box with solvent) and the effect on topology. It distinguishes the tool from sibling tools, which are mostly analysis or other preparation steps, not solvation.

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, prerequisites (e.g., existing topology), or alternatives. The description lacks context for appropriate usage.

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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