Regensburg 2022 – wissenschaftliches Programm

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BP: Fachverband Biologische Physik

BP 7: Poster 1

BP 7.6: Poster

Montag, 5. September 2022, 18:00–20:00, P1

AniMol: A quick interactive web-based molecular trajectory visualiser — James Panayis, James Partington, and •Rudolf A. Römer — Department of Physics, University of Warwick, Coventry, CV4 7AL, UK

We present software developed to interactively visualise dynamic molecular trajectories in web browsers. This tool allows for quick and efficient interaction with large flexing/moving molecular structures and helps to more easily understand results of in-silico modeling processes, for example protein dynamics simulations. The browser-based software simplifies workflows as no installation is required, and there are very few limitations due to hardware or software compatibilities. We achieve this using a lightweight state-of-the-art graphics engine, and compiling our code to WebAssembly (WASM), a portable compilation target for programming languages supported by all major browsers since 2017. We also present a webserver (animol.warwick.ac.uk) utilising this software offering cloud storage and retrieval of molecular trajectories, to aid collaboration and communication of results.