Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
pip or conda
conda environmentsThanks to many contributors, including: @Acylation, @Azaathooth, @IagoEmanuel15, @ImgBotApp, @Makiah, @NorwayFun, @Surajjalpun2002, @alchemistcai, @bitigchi, @dependabot, @dependabot[bot], @ghutchis, @github-actions, @hakkikonu, @imgbot, @imitrichev, @joerivan, @koenr, @matterhorn103, @nbehrnd, @ovari, @research11111, @secretkontributer, @tacitcoast, @weblate, Alejandro Díaz-Moscoso, Eisuke Kawashima, Ivanushka, LibreTranslate, Remus-Gabriel Chelu, Weblate Translation Memory and gallegonovato
This is a bug-fix release, particularly for Windows users, removing a filename filter that affected opening and saving files.
This also includes the openbabel-3.dll which was left out of Windows releases.
Thanks to many contributors, including: @Atharva-Kanherkar, @antonio-rojas, @atharrrva15, @ghutchis, @github-actions, @ovari, @weblate, Alejandro Díaz-Moscoso and Martin Slavík
.out and .log files) (#1347).out files @ghutchis (#1409)Thanks to many contributors, including: @DDinghoya, @DasJott, @Lisapple, @M3CG, @NorwayFun, @OfficerBrasidas, @SantosSi, @StefanBruens, @Surajjalpun2002, @WilliamBeltranC, @Xav83, @adityaomar3, @aerkiaga, @ahenao, @anmorgunov, @awvwgk, @balducci, @berquist, @comradekingu, @cryos, @dependabot, @dominikflorjan, @dtelsing, @e-kwsm, @ghutchis, @github-actions, @grsousajunior, @hgokhanb, @koenr, @matterhorn103, @mck89, @milotype, @nbehrnd, @nicolazanna, @ovari, @pskowronskiTDx, @salif, @simmon-nplob, @spotenza2016, @tacitcoast, @tictactoe101, @trollixx, @vamsibarnala, @weblate, @yurivict, Ajith, Alejandro Díaz-Moscoso, Alex B, Eisuke Kawashima, FAN JI, Hugel, Jörg S, Kateryna Golovanvoa, Patryk Skowroński, Shusong Zhang, Weblate Translators, gallegonovato and victor dargallo
Avogadro 1.97 Release Notes
We are pleased to announce the latest release of Avogadro, including piles of bug fixes and many feature enhancements, including contributions from @aerkiaga as part of Google Summer of Code. Thanks to many for suggestions, bug reports, and discussions.
Draft developer documentation can be found at https://two.avogadro.cc
You can download Linux, Windows, and Mac versions at: https://github.com/openchemistry/avogadrolibs/releases/latest
If you have comments or suggestions, please join us at https://discuss.avogadro.cc and as always, help and contributions in many forms are very welcome, particularly if you'd like to help with user documentation or website developement.
antechamber @ghutchis (#999)xtb GFN2 charges @ghutchis (#998)Thanks to many contributors, including: @NorwayFun, @TiborGY, @aerkiaga, @ahenao, @artemmolotov, @cryos, @e-kwsm, @ghutchis, @github-actions, @matterhorn103, @ovari, @tacitcoast, @usta, @weblate, Julen Larrucea, Translator and МАН69К
We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements, including contributions from @aerkiaga as part of Google Summer of Code. Thanks to many for suggestions, bug reports, and discussions.
Draft developer documentation can be found at https://two.avogadro.cc
As part of this release, we have an official AppImage build for Linux, as well as a code-signed release for macOS.
If you have comments or suggestions, please join us at https://discuss.avogadro.cc and as always, help and contributions in many forms are very welcome, particularly if you'd like to help with user documentation or website developement.
Thanks to many contributors, including: @HoangTuan110, @Lisapple, @M3CG, @SantosSi, @aerkiaga, @comradekingu, @drew-parsons, @ejatjon, @ersen0, @ghutchis, @github-actions, @github-actions[bot], @milotype, @nicolasfella, @octycs, @ovari, @rezaalmanda, @serk12, @urkawa, @weblate, J. Lavoie, Pa, Temuri Doghonadze, phlostically and 刘韬
This release fixes several bugs in the recent 1.95.0 release and is recommended for all users.
Thanks to @drew-parsons and @yurivict for prompt bug reports!
Thanks to many contributors, including: @drew-parsons, @ghutchis, @mrmrcl, @ovari, @serk12 @yurivict, and @weblate
We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements. Thanks to many for suggestions, bug reports, and discussions.
This release includes many new features, including new protein ribbon / cartoon renderings and the new "Layer" system as part of Google Summer of Code by @serk12.
Draft developer documentation can be found at https://two.avogadro.cc
If you have comments or suggestions, please join us at https://discuss.avogadro.cc and as always, help and contributions in many forms are very welcome, particularly if you'd like to help with user documentation.
We anticipate several more releases over fall 2021 as we finish up our 2.0 release.
LINK_(PRIVATE|PUBLIC) with (PRIVATE|PUBLIC) @e-kwsm (#629)Thanks to many contributors, including: @12emin34, @GicoProgram, @LihanzUpenn, @NathanBnm, @San4ito, @acunm, @alexrsoares, @danialk03, @dillonschultz93, @e-kwsm, @ghutchis, @grsousajunior, @psavery, @rezaalmanda, @serk12, @tacitcoast, @weblate, Eisuke Kawashima, Jacque Fresco and phlostically
We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements.
As part of the release, we've made it easier to download scripts and data, including new input generators, molecule fragments, and build and analysis commands. These scripts make it much easier to integrate Avogadro with many open source chemistry Python tools, including RDKit, ASE, etc.
Draft developer documentation can be found at https://two.avogadro.cc
If you have comments or suggestions, please join us at https://discuss.avogadro.cc
We anticipate several more releases over the summer and early fall 2021.
Thanks to many contributors, including: @Andre870-hub, @ImgBotApp, @KovalevArtem, @NathanBnm, @Padanian, @Pietro026, @SantosSi, @SoftwareByRedline, @VeryTastyTomato, @Z-Fikar, @Zaryob, @adreasnow, @ahmadubuntu, @akyunus, @amandadumi, @andhikapangestu29, @anubh4v, @badarsh2, @berquist, @borisfaure, @comradekingu, @crlambda, @cryos, @dnandz, @dvermd, @ghutchis, @grsousajunior, @hello-malaysia, @imgbot, @joanavieira8, @kevinsmia1939, @koffevar, @ludovicobesana, @mirosnik1, @niskala5570, @psavery, @rezaalmanda, @serk12, @shivupa, @tacostea, @tiagomalho, @udopton, @weblate, @willow88, @yavgech, Alex, Apostol Penkov, Editor Do Sonic BR, Irina Puscas, J. Lavoie, Jacque Fresco, Jörg S, Kavin Teenakul, Liu Tao, Michalis, My Random Thoughts, Oğuz Ersen, RIDHO NURUL ADILLA, Szabolcs Kalapos, Talking Panda, Thomas Koller, Tymofij Lytvynenko, fikril Ha, phlostically, rahul bahuguna
The latest Avogadro libraries release with a number of feature enhancements and bug fixes.
Our latest release with many feature enhancements, bug fixes, and other things as we move toward a 2.0 release!