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voronota

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Compute Voronoi diagram vertices for macromolecular structures

Installation

To install this package, run one of the following:

Conda
$conda install bioconda::voronota

Usage Tracking

1.29.4415
1.29.4412
1.29.4408
1.29.4370
4 / 8 versions selected
Downloads (Last 6 months): 0

Description

The analysis of macromolecular structures often requires a comprehensive definition of atomic neighborhoods. Such a definition can be based on the Voronoi diagram of balls, where each ball represents an atom of some van der Waals radius. Voronota is a software tool for finding all the vertices of the Voronoi diagram of balls. Such vertices correspond to the centers of the empty tangent spheres defined by quadruples of balls. Voronota is especially suitable for processing three-dimensional structures of biological macromolecules such as proteins and RNA.

Since version 1.2 Voronota also uses the Voronoi vertices to construct inter-atom contact surfaces and solvent accessible surfaces. Voronota provides tools to query contacts, generate contacts graphics, compare contacts and evaluate quality of protein structural models using contacts.

Most of the new developments are happening in the expansions of Voronota: Voronota-JS, Voronota-LT and Voronota-GL.

Voronota and its expansions are developed by Kliment Olechnovic (https://www.kliment.lt).

About

Summary

Compute Voronoi diagram vertices for macromolecular structures

Last Updated

Jun 25, 2025 at 19:38

License

MIT

Total Downloads

2.5K

Supported Platforms

linux-aarch64
linux-64
macOS-64
macOS-arm64