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DrYe1109

MS-MCP

by DrYe1109

ms_create_molecule

Create a molecule or crystal document from explicit atoms and bonds, with optional bond orders.

Instructions

Create a standalone molecule/crystal document from explicit atoms and bonds using MaterialsScript. For the already-open GUI project, prefer ms_gui_create_current to avoid duplicate GUI documents.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
atomsYes
bondsNo
projectNo
documentNameYes
Behavior2/5

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

No annotations provided; description mentions 'using MaterialsScript' but does not disclose behavioral traits like side effects, permissions, or whether it modifies existing documents. Minimal behavioral context beyond the basic action.

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?

Two efficient sentences: first states purpose, second provides usage guidance. No fluff or redundancy.

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?

Given no output schema, no annotations, and 4 parameters, the description is too brief. It explains the tool's purpose and when to use alternatives, but lacks detail on return values, parameter behavior, and potential constraints.

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

Parameters2/5

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

Schema has 0% parameter description coverage; the description does not explain individual parameters. It implicitly mentions atoms and bonds but provides no details on formatting, constraints, or how they are used.

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?

Clearly states the tool creates a standalone molecule/crystal document from explicit atoms and bonds using MaterialsScript. Distinguishes from sibling tool ms_gui_create_current by specifying it creates a standalone document, not in the GUI.

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

Usage Guidelines5/5

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

Explicitly advises to prefer ms_gui_create_current when working within an open GUI project to avoid duplicate documents, providing clear guidance on when to use this tool vs. alternatives.

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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