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Export molecular structures or full sessions to files. Use file extension to set format (PDB, CIF, SDF, MOL2, OBJ, PSE) and optionally restrict to a selection and state.

Instructions

Saves data to a file

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
stateNoWhich state to save. "-1" is the current state, "0" writes all states.-1
filenameYesOutput path. The extension picks the format: ``.pdb``, ``.cif``, ``.sdf``, ``.mol2``, ``.obj``, or ``.pse`` for a full session.
selectionNoWhat to write out.all

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior2/5

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

With no annotations, the description carries the full burden of behavioral disclosure. It only states the basic write operation but does not mention overwriting behavior, file format implications, state handling, or whether any side effects occur. This is a significant gap for a mutation-like tool.

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 description is short but under-specified rather than concise. The single sentence omits essential context (formats, usage, differences from siblings), so it fails to earn its place as a helpful guide. This is closer to under-specification than effective brevity.

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?

For a tool with three parameters and many sibling output tools, the description is too thin. Even with an output schema present, it does not explain supported file formats, when to use this tool over save_session or png, or what happens to existing files. The description is inadequate for reliable tool selection.

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% (all three parameters have detailed descriptions), so the baseline is 3. The description itself adds no parameter meaning beyond what the schema already provides, which is acceptable since the schema does the heavy lifting.

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

Purpose3/5

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

The description uses a specific verb ('Saves') and a resource ('a file'), but 'data' is vague and does not identify what kind of data (structure, session, image) is saved. It does not differentiate the tool from siblings like save_session, png, or render, leaving the agent uncertain about the tool's specific scope.

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 about when to use this tool versus alternatives. The description lacks any mention of exclusions, prerequisites, or typical scenarios, making it difficult to choose among the many output-related sibling tools.

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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