molclaw-pulchura-rebuild
OfficialRebuild incomplete proteins for docking.
Education & Research#simulation#bioinformatics#pdb#docking#pulchra#protein-reconstruction#structure-preparation
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Reconstructs missing atoms and rebuilds incomplete protein PDB structures to enable reliable docking, virtual screening, and molecular dynamics preparation when experimental or modeled PDBs are truncated or missing sidechains and hydrogens.
Core Features & Use Cases
- Mode-flexible rebuilding: Supports full, backbone-only, sidechain-only, and hydrogen-only reconstruction modes to match downstream workflow needs.
- Per-file validation and reporting: Validates inputs, reports requested vs succeeded vs failed counts, and returns rebuilt PDB file paths and per-input error messages for troubleshooting.
- Integration guidance: Advises preprocessing with PDB-fixing tools and requires explicit download of generated structure files to ensure reproducibility; ideal for preparing targets for docking or MD simulations.
Quick Start
Rebuild the uploaded PDB file my_protein.pdb in full mode with hydrogen-bond optimization enabled and then download all generated output structure files to local storage.
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: molclaw-pulchura-rebuild Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-pulchura-rebuild 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 471,000+ vetted skills library on demand.