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Avogadro

Name: Avogadro
Author: The Avogadro team

dezvoltat de The Avogadro team

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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

Acest pachet pus la dispoziție de comunitate nu este verificat, afiliat și susținut de The Avogadro team.

Modificări în versiune 2.1.0

17 zile în urmă

Highlights

Faster, smoother geometry optimizations using a hybrid optimizer
Much faster orbitals and surfaces. Gaussian basis sets are now over 20x faster and ORCA output loads faster too
Improved conformer and dynamics plot including geometry parameters, velocities, temperature, etc.
New builder features including a polymer builder, a z-matrix editor, editing distances and angles in the measure tool and more
Improved camera controls including keyboard controls, click and drag around an atom
Added scripting and automation using the avogadro.connect Python module and local JSON-RPC connections.
Transparent compression support: read and write compressed files directly (e.g., `.gz`, `.xz` and `.zstd`).
Lots of bug fixes, accessibility improvements, and more

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Legături

Site-ul proiectului

https://avogadro.cc/

Ajutor

https://avogadro.cc/docs

Întrebări frecvente

https://discuss.avogadro.cc/

Contribuie la traduceri

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

Raportează o problemă

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

Manifestul

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

Etichete:

linux flatpak

Arhitecturi disponibile:aarch64x86_64