Institute for Research in Biomedicine (IRB Barcelona), Barcelona Institute of Science and Technology, Barcelona 08028, Spain.
Barcelona Supercomputing Center (BSC), Barcelona 08034, Spain.
Bioinformatics. 2022 Jun 13;38(12):3302-3303. doi: 10.1093/bioinformatics/btac316.
The BioExcel Building Blocks (BioBB) library offers a broad collection of wrappers on top of common biomolecular simulation and bioinformatics tools. The possibility to access the library remotely and programmatically increases its usability, allowing individual and sporadic executions and enabling remote workflows.
BioBB REST API extends and complements the BioBB library offering programmatic access to the collection of biomolecular simulation tools included in the BioExcel Building Blocks library. Molecular Dynamics setup, docking, structure modeling, free energy simulations and flexibility analyses are examples of functionalities included in the endpoints collection. All functionalities are accessible through standard REST API calls, voiding the need for tool installation.
All the information related to the BioBB REST API endpoints is accessible from https://mmb.irbbarcelona.org/biobb-api/. Links to extended documentation, including OpenAPI endpoints specification and examples, Read-The-Docs documentation and a complete workflow tutorial can be found in the Supplementary Table S1.
Supplementary data are available at Bioinformatics online.
BioExcel 构建块 (BioBB) 库提供了对常见生物分子模拟和生物信息学工具的广泛封装。远程访问和编程访问库的可能性提高了其可用性，允许进行单独和零星的执行，并支持远程工作流程。
BioBB REST API 扩展和补充了 BioBB 库，提供了对包含在 BioExcel 构建块库中的生物分子模拟工具的编程访问。分子动力学设置、对接、结构建模、自由能模拟和灵活性分析是包含的功能的示例。所有功能都可通过标准的 REST API 调用访问，无需安装工具。
可从 https://mmb.irbbarcelona.org/biobb-api/ 访问与 BioBB REST API 端点相关的所有信息。扩展文档的链接，包括 OpenAPI 端点规范和示例、Read-The-Docs 文档以及完整的工作流程教程，可在补充表 S1 中找到。
补充数据可在生物信息学在线获得。
