molclaw-protein-openmm
OfficialRun OpenMM MD and extract frames for analysis.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
OpenMM-based protein molecular dynamics workflows often require generating simulations and extracting representative frames for downstream analysis, which can be error-prone if done ad hoc.
Core Features & Use Cases
- Run OpenMM protein MD simulations with configurable solvent models, force fields, and MD duration.
- Extract evenly spaced frames from MD trajectories for ensemble analysis and screening.
- Support end-to-end collaboration workflows by producing run directories and standard outputs for reuse in pipelines.
Quick Start
Run a full protein OpenMM MD run with a protein_pdb file and default parameters to generate a run directory and trajectory frames.
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-protein-openmm Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-protein-openmm Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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