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structure-visual-inspection

Render four-view panels of atomic structures and inspect adsorption geometries for issues.

13|1|Updated Nov 27, 2025
Search Tags:#visualization#image-analysis#render#adsorption#sanity-check#atomic-structure#slab
One-click install
npx skills add https://github.com/q734738781/CatMaster --skill structure-visual-inspection
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: structure-visual-inspection
Source: https://github.com/q734738781/CatMaster/tree/main/skills/structure-visual-inspection
Command: npx skills add https://github.com/q734738781/CatMaster --skill structure-visual-inspection

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Provides quick, interpretable visual evidence to catch geometry issues, adsorption-site ambiguities, and obvious clashes that may be missed by numerical summaries alone, helping users decide when to trust visuals versus running deeper numeric checks.

Core Features & Use Cases

  • Four-view rendering: Produce a standardized panel of views to enable consistent visual comparison across candidates.
  • Image-assisted checks: Use narrow, question-driven image analysis for orientation sanity, obvious clashes, or pre/post-relaxation comparisons.
  • Context-aware rendering: Encourage controlled supercell adjustments (e.g., (2,2,1) or (3,3,1)) when slab-site context is too local.
  • Use Case: Rapidly screen adsorption geometries prior to ranking or inclusion in manuscript figures, and return image artifacts for reporting.

Quick Start

Render a default four-view panel of the structure and inspect it visually, invoking automated image analysis only if the visual evidence is ambiguous.

Frequently Asked Questions about structure-visual-inspection

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I perform a visual sanity check for atomic slab structures?▼

Perform a visual sanity check for atomic slab structures by generating standardized four-view rendering panels to identify obvious geometry issues and adsorption site ambiguities visually.

What is the best way to compare adsorption geometries before ranking candidates?▼

Compare adsorption geometries by rendering standardized four-view panels to catch obvious clashes or site ambiguities that numerical summaries miss, returning a conclusion state indicating obvious, tentative, or requiring numerical confirmation.

How do I render a supercell when slab-site context is too local?▼

Render a supercell by applying controlled adjustments like (2,2,1) or (3,3,1) to expand the slab-site context when the local view is too narrow for accurate visual inspection.

Can image analysis detect adsorption site ambiguities in computational catalysis workflows?▼

Yes, image analysis detects adsorption site ambiguities in computational catalysis workflows by applying narrow, question-driven checks for orientation sanity and obvious clashes when visual evidence is ambiguous.

When do I need numerical confirmation after a visual structure inspection?▼

You need numerical confirmation after a visual structure inspection when the returned conclusion state indicates tentative issues or explicitly requires numerical confirmation to verify ambiguous adsorption geometries.

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