Abstract

MotivationThe sharing of macromolecular structural information online by scientists is predominantly performed via 2D static images, since the embedding of interactive 3D structures in webpages is non-trivial. Whilst the technologies to do so exist, they are often only implementable with significant web coding experience.ResultsMichelaɴɢʟo is an accessible and open-source web-based application that supports the generation, customization and sharing of interactive 3D macromolecular visualizations for digital media without requiring programming skills. A PyMOL file, PDB file, PDB identifier code or protein/gene name can be provided to form the basis of visualizations using the NGL JavaScript library. Hyperlinks that control the view can be added to text within the page. Protein-coding variants can be highlighted to support interpretation of their potential functional consequences. The resulting visualizations and text can be customized and shared, as well as embedded within existing websites by following instructions and using a self-contained download. Michelaɴɢʟo allows researchers to move away from static images and instead engage, describe and explain their protein to a wider audience in a more interactive fashion.Availability and implementationMichelaɴɢʟo is hosted at michelanglo.sgc.ox.ac.uk. The Python code is freely available at https://github.com/thesgc/MichelaNGLo, along with documentations about its implementation.

Highlights

  • Communicating the interpretations of macromolecular experimental structures of proteins and their ligands to non-structural biologists is an important but non-trivial task

  • A range of software applications that support the visualization of protein structures in three dimensions currently exist, either as commercial pieces of software or as freely available desktop applications (e.g. PyMOL, ICM-Browser etc.; Martinez et al, 2019; Raush et al, 2009; Schrodinger LLC, 2015) These standalone platforms are able to create interactive visualizations of structures, but the sharing of these as interactive views is often fundamentally locked into the ecosystem of the creator platform in terms of file formats, related costs and restrictive licencing terms

  • We present MichelaNGLo, a web application which attempts to lower the barrier to generation and delivery of basic interactive 3D macromolecular visualizations for web pages without the need to write any JavaScript

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Summary

Introduction

Communicating the interpretations of macromolecular experimental structures of proteins and their ligands to non-structural biologists is an important but non-trivial task. We developed the iSee platform (Lee et al, 2009, 2011; Raush et al, 2009) which for the first time made it possible to generate web-based interactive views of macromolecular structures whilst embedding them within text, making it possible for those with limited or no structural biology experience to better understand the information presented in such views. This platform depended upon a type of web-browser plugin which is no longer supported by mainstream browsers.

Implementation
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