BioVEC: A program for Biomolecule Visualization with Ellipsoidal Coarse-graining

TL;DR

BioVEC is an open-source C++ tool that visualizes molecular dynamics data using ellipsoidal coarse-graining, supporting various input formats and rendering frames for movies across Windows and Linux.

Contribution

It introduces a lightweight, flexible visualization program that renders coarse-grained biomolecules as ellipsoids, supporting multiple input formats and platforms.

Findings

Supports quaternion and ANISOU orientation formats

Enables rendering of simulation trajectories as images

Runs efficiently on Windows and Linux

Abstract

Biomolecule Visualization with Ellipsoidal Coarse-graining (BioVEC) is a tool for visualizing molecular dynamics simulation data while allowing coarse-grained residues to be rendered as ellipsoids. BioVEC reads in configuration files, which may be output from molecular dynamics simulations that include orientation output in either quaternion or ANISOU format, and can render frames of the trajectory in several common image formats for subsequent concatenation into a movie file. The BioVEC program is written in C++, uses the OpenGL API for rendering, and is open source. It is lightweight, allows for user-defined settings for and texture, and runs on either Windows or Linux platforms.