📦 GROMACS Protein Analysis — 蛋白动力学分析
v1.0.0集成九种核心工作流的蛋白质分子动力学模拟知识指南，自动给出PBC修正、RMSD/RMSF/回转半径/氢键/PCA/自由能/聚类/距离分析等完整流程，让Agent无需记忆即可快速执行GROMACS分析。
0· 190·1 当前·1 累计
by 下载技能包
最后更新
2026/3/18
安全扫描
OpenClaw
安全
high confidenceThe skill is an instruction-only GROMACS analysis guide that only references local trajectory/topology files and expected analysis tools; its requirements and instructions are coherent with its stated purpose.
评估建议
This skill is a documentation-only workflow for common GROMACS analyses and appears internally consistent. Before installing or allowing autonomous invocation: ensure you have the local tools it assumes (gmx, dit, and any DuIvyTools tool) on the agent host; verify the behavior and trustworthiness of the referenced helper skills (gromacs-skills, duivytools-skills) if the agent will call them; and remember that trajectory and topology files may contain sensitive IP/data — the skill operates on loc...详细分析 ▾
✓ 用途与能力
Name/description (GROMACS protein analysis) align with the content: all required commands, file types (.xtc/.tpr/.ndx) and helper tools (gmx, dit, DuIvyTools) are appropriate and expected for this purpose; there are no unrelated env vars, binaries, or credentials requested.
✓ 指令范围
SKILL.md contains concrete, narrowly scoped runtime instructions for local file analysis (trjconv, covar, rms, rmsf, gyrate, sasa, etc.). It references other agent skills (gromacs-skills, duivytools-skills) for calling tools/visualization — this is reasonable and documented. The instructions do not direct reading of unrelated system files, do not ask for secrets, nor do they post data to external endpoints.
✓ 安装机制
Instruction-only skill with no install spec and no bundled code — minimal surface area. Users must have GROMACS/dit/duivytools installed on their system, but nothing in the skill attempts to download or install packages.
✓ 凭证需求
No environment variables, credentials, or config paths are requested. The variables and resources referenced (trajectory, topology, index files) are proportional to the analyses described.
✓ 持久化与权限
always is false and the skill does not request elevated or persistent privileges. disable-model-invocation is false (normal) but the skill itself does not require additional privileges or modify other skills or system-wide settings.
安全有层次，运行前请审查代码。
运行时依赖
无特殊依赖
版本
latestv1.0.02026/3/18
- Initial release of the GROMACS 蛋白质分子动力学模拟分析知识工作流指南。 - Covers nine core analysis types: PBC correction, RMSD, RMSF, gyrate, SASA, DCCM, RDCM, PCA, and FEL. - Includes clear Linux/macOS and Windows CMD compatibility instructions for GROMACS command-line workflows. - Details analysis purposes, inputs, outputs, dependencies, and recommended best practices. - Provides guidance for troubleshooting, file preparation, and common workflows. - Recommends and explains integration with duivytools-skills for data visualization.
● 无害
安装命令
点击复制官方npx clawhub@latest install gromacs-protein-analysis
镜像加速npx clawhub@latest install gromacs-protein-analysis --registry https://cn.longxiaskill.com