rosettacommons-rosetta
CommunityRosetta-based macromolecular modeling in Docker.
System Documentation
What problem does it solve?
Rosetta provides a comprehensive toolset for modeling macromolecular structures, enabling prediction, design, docking, and analysis workflows in a reproducible containerized environment.
Core Features & Use Cases
- 100+ applications including RosettaScripts, Relax, Score, FastDesign, FlexPepDock, and RosettaDock for protein engineering, drug discovery, and structural biology.
- Use cases span structure prediction, design optimization, ligand/protein docking, enzyme design, and complex assembly studies.
- Example: ingest a PDB, run a scoring or relaxation protocol in a Docker container, and generate a set of refined models for downstream analysis.
Quick Start
Run a baseline Rosetta workflow using Docker, mounting your data directory and invoking an application such as score or relax. Example: docker run --rm -v /data/rosetta:/data ghcr.io/open-prophetdb/rosettacommons-rosetta:arm64-blackwell score.default.linuxgccrelease -s /data/input.pdb -out:path:all /data/output
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: rosettacommons-rosetta Download link: https://github.com/yjcyxky/biominer-skills/archive/main.zip#rosettacommons-rosetta Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 223,000+ vetted skills library on demand.