引入囊环境,以支持SBGrid结构生物学软件集的进一步增长
Carol Herre1, Alex Ho1, Ben Eisenbraun1
1Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, Massachusetts, USA.
概括
科学软件管理是复杂的. SBGrid团队开发了囊,以提供孤立的,可重复的软件环境,增强跨多种计算平台的研究可重复性和FAIR数据原则.
科学领域:
- 科学软件工程科学软件工程
- 计算生物学是一种计算生物学.
- 生物信息学是一种生物信息学.
背景情况:
- 庞大的科学软件生态系统对研究可复制性和来源跟踪提出了挑战.
- 不同的应用程序,版本和平台使软件管理和使用变得复杂.
- 确保一致的软件环境对于可靠的科学结果至关重要.
研究的目的:
- 为了解决管理大型科学软件集合的复杂性.
- 为科学软件执行开发一个透明的,跨平台的解决方案.
- 提高科学软件的可寻性,可访问性,互操作性和可重复使用性 (FAIR).
主要方法:
- 使用编程生成的bash脚本开发囊软件执行环境 (囊).
- 应用程序运行时环境的隔离以防止冲突.
- 530多个结构生物学专业应用程序的集中管理和分发.
- 囊与SBGrid平台的集成,用于本地和云计算.
主要成果:
- 囊提供了一个模块化,安全和无冲突的软件分发方法.
- 该解决方案提供透明的跨平台功能,而不需要提高权限.
- 使用囊的SBGrid平台显然提高了软件的可寻性,可访问性,互操作性和可重复使用性.
- 在结构生物学中成功应用,具有更广泛科学领域的潜力.
结论:
- 囊为管理复杂的科学软件环境提供了强大的解决方案.
- 该SBGrid平台增强了研究的可复制性和遵守公平原则.
- 开发的方法适用于结构生物学以外的各种科学领域.
相关概念视频
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