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mahynotch

ChimeraX MCP Server

by mahynotch

add_hydrogen

Add hydrogen atoms to molecular structures to complete valency and prepare for simulations or analysis.

Instructions

Add hydrogens to the structure. Aliases: protonate, add H, hydrogenate.

Example: add_hydrogen("#1")

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
specNoall

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior2/5

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

No annotations provided, so the description must disclose behavior. It only says 'Add hydrogens', implying a mutation, but no details on side effects, requirements, or reversibility.

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

Conciseness4/5

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

Single sentence stating the action, followed by aliases and an example. Efficient but could include more details without being verbose.

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

Completeness3/5

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

With output schema present, return values are covered. However, the description is minimal; the parameter 'spec' is undocumented beyond the example. Still, for a simple tool, it's minimally adequate.

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?

Only one parameter 'spec' with no schema description (0% coverage). The example '#1' adds some meaning, suggesting a selection string, but no explanation of valid values or defaults beyond 'all'.

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 'Add hydrogens to the structure' with a verb and resource. The alias list and example reinforce the purpose. It stands out from siblings, which are mostly unrelated.

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 on when to use this tool vs alternatives (e.g., protonation in other contexts). No when-not or prerequisites mentioned.

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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