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Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

License: BSD 3-Clause "New" or "Revised" License

CMake 2.13% C++ 96.36% Python 0.58% GLSL 0.41% Shell 0.11% Perl 0.33% Dockerfile 0.01% C 0.07%

avogadrolibs's Introduction

Avogadro 2

Introduction

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 builds on Linux, Mac OS X and Windows
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

The code in this repository is a rewrite of Avogadro with source code split across a libraries repository and an application repository. The new code architecture provides a high-performance rendering engine, modern code development, and significantly improved speed and stability.

Avogadro 2 is being developed as part of the Open Chemistry project by an open community, and was started at Kitware as an open source community project. The Avogadro 1.x series currently has more features, and can be found here. We will be porting more features to the Avogadro 2 code base, and making regular releases to get feedback from the community.

We are actively working to finish Avogadro 2.0 in 2021.

Installing

We provide nightly binaries built by GitHub actions for:

If you would like to build from source we recommend that you follow our building Open Chemistry guide that will take care of building most dependencies.

Contributing

Our project uses the standard GitHub pull request process for code review and integration. Please check our development guide for more details on developing and contributing to the project. The GitHub issue tracker can be used to report bugs, make feature requests, etc.

Our wiki is used to document features, flesh out designs and host other documentation. Our API is documented using Doxygen with updated documentation generated nightly. We have several mailing lists to coordinate development and to provide support.

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