PlayMolecule Viewer: A Toolkit for the Visualization of Molecules and Other Data

At Acellera, our commitment to advancing drug discovery extends beyond algorithms. We're thrilled to introduce PlayMolecule Viewer, a data visualization toolkit designed to facilitate the exploration of data resulting from computer-aided drug design efforts.

With an intuitive interface, users can easily upload, visualize, select, and manipulate molecular structures and associated data. Through the integration of cutting-edge web technologies such as WebAssembly, PlayMolecule Viewer  seamlessly incorporates Python libraries into the browser environment. This enhances its capabilities in managing multiple file formats and data types, ranging from static and dynamic structures to data tables and plots. This versatility allows users to integrate their data into the platform, gaining valuable insights from their molecular data.

Key features

• Visualization of Molecule Structures: PlayMolecule Viewer supports a wide range of structural file formats. With a rich set of molecular representation types and color schemes, together with selection and superimposition capabilities, users can create complex molecular views.
• Integration of Tabular Data: Beyond structures, users can upload CSV files to create interactive tables. Table rows can be linked to loaded structures, focusing the visualization on them with a click.
• Integration of Plots: Users can display complex data representations, such as plots, together with their molecular structures. This can be useful to display, for instance, time-dependent properties of molecular systems alongside a molecular dynamics trajectory.
• Python Console for Interactive Molecular Analysis: Users can interact with loaded molecules using the Moleculekit library. The console can be used to obtain information about the molecules, apply filters, perform calculations, and more.
• Save and Load Viewer Sessions: to ensure work continuity, users can save and reload session states.

Availability

PlayMolecule Viewer is freely accessible at open.playmolecule.org, ensuring accessibility and availability to the scientific community and beyond. In addition to the web platform, the viewer can be used as a standalone application, installable via conda, which provides offline accessibility and enhanced performance.

Download executing the following command on a Linux terminal:

conda install pmview -c acellera

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