Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model

Fuente: arXiv
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Autori principali: Maria, Maxime, Guillaume, Valentin, Guionniere, Simon, Dacquay, Nicolas, Holleville, Cyprien Plateau, Larroque, Vincent, Larde, Jean, Naimi, Yassine, Piquemal, Jean Philip, Levieux, Guillaume, Lagarde, Nathalie, Merillou, Stephane, Montes, Matthieu
Natura: Preprint
Pubblicazione: 2025
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author Maria, Maxime
Guillaume, Valentin
Guionniere, Simon
Dacquay, Nicolas
Holleville, Cyprien Plateau
Larroque, Vincent
Larde, Jean
Naimi, Yassine
Piquemal, Jean Philip
Levieux, Guillaume
Lagarde, Nathalie
Merillou, Stephane
Montes, Matthieu
author_facet Maria, Maxime
Guillaume, Valentin
Guionniere, Simon
Dacquay, Nicolas
Holleville, Cyprien Plateau
Larroque, Vincent
Larde, Jean
Naimi, Yassine
Piquemal, Jean Philip
Levieux, Guillaume
Lagarde, Nathalie
Merillou, Stephane
Montes, Matthieu
contents VTX is an open-source molecular visualization software designed to overcome the scaling limitations of existing real-time molecular visualization software when handling massive molecular datasets. VTX employs a meshless molecular graphics engine utilizing impostor-based techniques and adaptive level-of-detail (LOD) rendering. This approach significantly reduces memory usage and enables real-time visualization and manipulation of large molecular systems. Performance benchmarks against VMD, PyMOL, and ChimeraX using a 114-million-bead Martini minimal whole-cell model demonstrate VTX's efficiency, maintaining consistent frame rates even under interactive manipulation on standard computer hardware. VTX incorporates features such as screen-space ambient occlusion (SSAO) for enhanced depth perception and free-fly navigation for intuitive exploration of large molecular systems. VTX is open-source and free for non commercial use. Binaries for Windows and Ubuntu Linux are available at http://vtx.drugdesign.fr. VTX source code is available at https://github.com/VTX-Molecular-Visualization.
format Preprint
id arxiv_https___arxiv_org_abs_2503_07181
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model
Maria, Maxime
Guillaume, Valentin
Guionniere, Simon
Dacquay, Nicolas
Holleville, Cyprien Plateau
Larroque, Vincent
Larde, Jean
Naimi, Yassine
Piquemal, Jean Philip
Levieux, Guillaume
Lagarde, Nathalie
Merillou, Stephane
Montes, Matthieu
Chemical Physics
Biological Physics
Biomolecules
VTX is an open-source molecular visualization software designed to overcome the scaling limitations of existing real-time molecular visualization software when handling massive molecular datasets. VTX employs a meshless molecular graphics engine utilizing impostor-based techniques and adaptive level-of-detail (LOD) rendering. This approach significantly reduces memory usage and enables real-time visualization and manipulation of large molecular systems. Performance benchmarks against VMD, PyMOL, and ChimeraX using a 114-million-bead Martini minimal whole-cell model demonstrate VTX's efficiency, maintaining consistent frame rates even under interactive manipulation on standard computer hardware. VTX incorporates features such as screen-space ambient occlusion (SSAO) for enhanced depth perception and free-fly navigation for intuitive exploration of large molecular systems. VTX is open-source and free for non commercial use. Binaries for Windows and Ubuntu Linux are available at http://vtx.drugdesign.fr. VTX source code is available at https://github.com/VTX-Molecular-Visualization.
title Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model
topic Chemical Physics
Biological Physics
Biomolecules
url https://arxiv.org/abs/2503.07181