Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Clone or download
cryos Merge pull request #417 from yurchor/master
Fix minor Doxygen issues
Latest commit 04c6ff1 Dec 20, 2018
Permalink
Type Name Latest commit message Commit time
Failed to load latest commit information.
.circleci Always run wheel build on CirclCi Oct 9, 2018
.github Add a config for the welcome bot: Jul 11, 2018
avogadro Merge pull request #417 from yurchor/master Dec 20, 2018
cmake Initial MMTF support Aug 27, 2018
docs Added a main page for the Doxygen documentation Apr 7, 2013
i18n Add some migrated translations from Launchpad for Avo1.2 Apr 13, 2018
python Expose calculateElectronDensity in the python bindings Dec 18, 2018
scripts Merge pull request #398 from cjh1/wheel-updates Oct 9, 2018
tests Fix minor typos in docs, comments and messages Dec 13, 2018
thirdparty Fix minor typos in docs, comments and messages Dec 13, 2018
utilities Utility for creating residue data header from txt Jul 15, 2018
.clang-format Use a full dump of the clang-format-3.8 config Jul 21, 2018
.gitignore Remove c++11 dependencies, clean up unnecessary namespace specifications May 26, 2015
.travis.yml Remove need to source install script on Travis Oct 9, 2018
CMakeLists.txt Bump the version in preparation for release Oct 31, 2018
CODE_OF_CONDUCT.md Create CODE_OF_CONDUCT.md Jul 4, 2018
CONTRIBUTING.md Updated mailing list URL Mar 26, 2015
CTestConfig.cmake Renamed to AvogadroLibs May 1, 2012
LICENSE Update the year, not sure it is really needed Jan 2, 2018
README.md Minor updates to the README text Oct 4, 2018
STYLE.md Migrate the style guide to MarkDown, update it Jul 21, 2018
appveyor.yml Trying to use only the cmd shell Oct 5, 2018
requirements-dev.txt Pin wheel version for API break upstream Oct 9, 2018
setup.py Add url and classifiers to setup.py Sep 28, 2018

README.md

Avogadro 2

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. The code in this repository is a rewrite of Avogadro with source code split across a libraries repository and an application repository. Core features and goals of the Avogadro project:

  • Open source distributed under the liberal 3-clause BSD license
  • Cross platform with nightly 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

Open Chemistry project Kitware, Inc.

Avogadro 2 is being developed as part of the Open Chemistry project by an open communit, and has been developed 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 make Avogadro 2 mainline in 2018.

Installing

We provide nightly binaries built by our dashboards for Mac OS X and Windows. 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.