ProteinsPlus Profile Structure Quality
Comprehensive protein structure quality assessment and protein-ligand complex profiling using StructureProfiler. Performs thorough validation of protein structures including geometry checks, stereochemistry analysis, clash detection, and ligand binding site quality assessment. Supports multiple validation settings: 'astex' (Astex diverse set criteria), 'iridium' (Iridium validation), 'platinum' (PlatinumQuality set), or 'combined' (comprehensive analysis). Returns detailed quality reports cover…
Overview
Comprehensive protein structure quality assessment and protein-ligand complex profiling using StructureProfiler. Performs thorough validation of protein structures including geometry checks, stereochemistry analysis, clash detection, and ligand binding site quality assessment. Supports multiple validation settings: 'astex' (Astex diverse set criteria), 'iridium' (Iridium validation), 'platinum' (PlatinumQuality set), or 'combined' (comprehensive analysis). Returns detailed quality reports covering protein structure integrity, active site geometry, ligand binding quality, and structural anomalies. Essential for validating structures before molecular modeling, identifying potential artifacts, and ensuring reliability of structure-based drug design results. Example: Use 'combined' setting on 1KZK to assess overall structure quality before docking studies.
Schema
JSON Schema the agent (or your API call) must match.
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Examples (1)
Default ProteinsPlus Profile Structure Quality call
Identifiers
- Catalog ID
- tu_ProteinsPlus_profile_structure_quality
- Tool name
- ProteinsPlus_profile_structure_quality
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse, slow