packmol
CommunityGenerate Packmol inputs for MD setups.
Education & Research#packmol#molecular-packing#md-input#solvation#protein-solvation#interface-packing
AuthorChenghao-Wu
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Packmol input generation for molecular packing tasks is tedious and error-prone; this skill automates the creation of input files that define molecular counts, constraints, and positioning for MD-ready configurations.
Core Features & Use Cases
- Generate Packmol inputs for simple boxes, solvated proteins, and interfacial systems.
- Validate inputs and offer structured workflows that streamline setup for MD workflows.
- Support common constraints (box, sphere, plane) and multi-component mixtures.
Quick Start
Describe your packing goal in natural language, and Claude Code will generate a Packmol input that packs your molecules with the correct constraints.
Dependency Matrix
Required Modules
None requiredComponents
scriptsreferences
💻 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: packmol Download link: https://github.com/Chenghao-Wu/skill_packmol/archive/main.zip#packmol Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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