design-interface-analysis
CommunityCharacterize designed protein interfaces.
AuthorANaka
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Analyzes protein-protein and protein-ligand interfaces in designed complexes to quantify buried surface area, identify hotspot contacts, and characterize binding interfaces via PyMOL.
Core Features & Use Cases
- Interface identification and residue selection across designed interfaces (A/B chains)
- Hydrogen bonds, salt bridges, and hydrophobic contact analysis to annotate stabilizing interactions
- Buried surface area (BSA) computation and interpretation for design feedback
- Interface comparison workflows to contrast designed vs reference complexes
- Visualization-ready outputs and integration with RFdiffusion-viz, alphafold-validation (AF2-Multimer), and binding-site-visualization tools
- Workflow-compatible with PyMOL scripting to reproduce analyses in design pipelines
Quick Start
Load a designed complex in PyMOL and run the interface-analysis workflow to identify interface residues and compute buried surface area.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: design-interface-analysis Download link: https://github.com/ANaka/claudemol/archive/main.zip#design-interface-analysis Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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