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smaniches
by smaniches

Analyze Structural Confidence (pLDDT + PAE)

analyze_structural_confidence
Read-onlyIdempotent

Evaluate structural reliability by analyzing pLDDT and PAE to identify low-confidence segments, domain boundaries, and druggable pockets.

Instructions

Analyze AlphaFold structural confidence using pLDDT and PAE matrices.

Returns a multi-layered structural reliability assessment:

  • pLDDT (per-residue): mean confidence, low-confidence segments (disordered/novel)

  • PAE (predicted aligned error): inter-domain uncertainty, domain boundaries

  • Druggability pre-screen: high-pLDDT + low-PAE regions → ordered pockets

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
paramsYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault

No arguments

Behavior4/5

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

Annotations already indicate read-only, idempotent, and open-world behavior. The description goes beyond by detailing what each output metric (pLDDT, PAE) reveals and how they are combined for a druggability pre-screen. No negative behaviors or side effects are omitted.

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?

The description is short and front-loaded with the main purpose. Bullet points (though plain text) improve readability. No redundant sentences, though it could be slightly more concise by merging bullet explanation.

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?

Given a single parameter and an output schema, the description provides sufficient detail about the return values (pLDDT segments, PAE domain boundaries, druggability pre-screen). It covers the main aspects of structural confidence analysis, though it assumes familiarity with AlphaFold metrics.

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?

Despite the schema description coverage being 0%, the tool description does not describe the 'uniprot_id' parameter. The parameter is only slightly self-explanatory by name; a description of what UniProt ID is expected (e.g., link to specific organism) would add value. The schema provides a regex, but the description fails to compensate for the lack of schema descriptions.

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 clearly identifies the tool's purpose: analyzing AlphaFold structural confidence using pLDDT and PAE. It distinguishes from sibling tools like 'assess_target_druggability' by focusing on structural reliability metrics and explicitly listing the outputs, including a druggability pre-screen.

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?

While the description implicitly suggests use when pLDDT/PAE analysis is needed, it does not provide explicit when-to-use or when-not-to-use guidance relative to siblings such as 'detect_intrinsically_disordered' or 'score_binding_pocket_geometry'. No alternatives are 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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