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Avogadro

Name: Avogadro
Author: The Avogadro team

entwickelt von The Avogadro team

Unverifiziert

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Advanced molecular editor

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

Core features and goals of the Avogadro project include:

Open-source, distributed under the liberal 3-clause BSD license
Cross-platform, with nightly builds on Linux, Mac OS X and Windows
An intuitive interface designed to be useful to whole community
Fast and efficient, embracing the latest technologies
Extensible, making extensive use of a plugin architecture
Flexible, supporting a range of chemical data formats and packages

Dieses von der Gemeinschaft bereitgestellte Paket wurde von The Avogadro team weder verifiziert, steht in keiner Verbindung zu oder wird von The Avogadro team unterstützt.

Änderungen in Version 2.0.0

vor 4 Monaten

Highlights

New plugin system will load menu commands, input generators, file formats, energy and electrostatic models, including installation of any required libraries and tools using [`pixi`](https://pixi.prefix.dev/latest/installation/) on Mac and Windows. (Highly recommended on Linux too)
New plugin install window and index, including over 20 plugins (and growing)
Faster geometry optimizations ~50% faster on all models, and up to 5-10x faster on large molecules using UFF.
Added a faster protocol for using external energy models, including ML potentials, XTB, and more.
Added a simple molecular dynamics mode to the AutoOpt tool, including with energy models.
Improved ORCA input generator, including syntax highlighting

Finde mehr Informationen

Links

Projekt-Website

https://avogadro.cc/

Hilfe

https://avogadro.cc/docs

Häufig gestellte Fragen

https://discuss.avogadro.cc/

Übersetzen

https://hosted.weblate.org/engage/avogadro/

Ein Problem melden

https://github.com/flathub/org.openchemistry.Avogadro2/issues

Manifest

https://github.com/flathub/org.openchemistry.Avogadro2

Schlagwörter:

linux flatpak

Verfügbare Architekturen:x86_64aarch64