Abstract:
Streamlit is an open-source Python coding framework for building web-applications or \"web-apps\" and is now being used by researchers to share large data sets from published studies and other resources. Here we present Stmol, an easy-to-use component for rendering interactive 3D molecular visualizations of protein and ligand structures within Streamlit web-apps. Stmol can render protein and ligand structures with just a few lines of Python code by utilizing popular visualization libraries, currently Py3DMol and Speck. On the user-end, Stmol does not require expertise to interactively navigate. On the developer-end, Stmol can be easily integrated within structural bioinformatic and cheminformatic pipelines to provide a simple means for user-end researchers to advance biological studies and drug discovery efforts. In this paper, we highlight a few examples of how Stmol has already been utilized by scientific communities to share interactive molecular visualizations of protein and ligand structures from known open databases. We hope Stmol will be used by researchers to build additional open-sourced web-apps to benefit current and future generations of scientists.
摘要:
Streamlit是一个开源的Python编码框架,用于构建Web应用程序或“Web应用程序”,现在正被研究人员用于共享已发表研究和其他资源的大型数据集。这里我们介绍Stmol,一个易于使用的组件,用于在Streamlit网络应用程序中渲染蛋白质和配体结构的交互式3D分子可视化。Stmol可以通过利用流行的可视化库用几行Python代码渲染蛋白质和配体结构,目前Py3DMol和Speck。在用户端,Stmol不需要专业知识来交互导航。在开发者端,Stmol可以轻松地集成到结构生物信息学和化学信息学管道中,为用户端研究人员提供了一种简单的手段,以推进生物学研究和药物发现工作。在本文中,我们重点介绍了科学界如何利用Stmol从已知的开放数据库中共享蛋白质和配体结构的交互式分子可视化的几个例子。我们希望研究人员将使用Stmol来构建其他开源的Web应用程序,以使当前和未来的科学家受益。