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2 changes: 1 addition & 1 deletion _sources/api/index.md.txt
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(api)=

# Library API
# Develop

Avogadro libraries can be used from both C++ and Python interfaces.

Expand Down
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In addition to installing the latest release ({{release}}), there are nightly builds and anyone can build Avogadro from source code.

::::{grid} 3
:::{grid-item-card}
:::{card}
:text-align: center
:class-header: sd-font-weight-bold sd-bg-light
{fab}`apple;fa-2x` MacOS
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<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/macOS.dmg.zip"><span>Download Nightly Build</span></a>
:::

:::{grid-item-card}
:::{card}
:text-align: center
:class-header: sd-font-weight-bold sd-bg-light
{fab}`windows;fa-2x` Windows
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<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Win64.exe.zip"><span>Download Nightly Build</span></a>
:::

:::{grid-item-card}
:::{card}
:text-align: center
:class-header: sd-font-weight-bold sd-bg-light
{fab}`linux;fa-2x` Linux
^^^
{{ '<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="' + appurl + '"><span>Download AppImage</span></a>'}}
<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://dl.flathub.org/repo/appstream/org.openchemistry.Avogadro2.flatpakref"><span>Download Flatpak</span></a>
{{ '<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="' + appurl + '"><span>Download AppImage</span></a>'}} <a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://dl.flathub.org/repo/appstream/org.openchemistry.Avogadro2.flatpakref"><span>Download Flatpak</span></a>
++++
<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Avogadro2.AppImage.zip"><span>Download Nightly AppImage</span></a>
<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="build.html"><span>Build from source</span></a>
:::

::::
:::{card}
:text-align: center
:class-header: sd-font-weight-bold sd-bg-light sd-text-danger
{fab}`freebsd;fa-2x` FreeBSD
^^^
<a class="sd-sphinx-override sd-btn sd-text-wrap sd-btn-outline-primary reference external" href="https://www.freshports.org/science/avogadro2/"><span>`pkg install avogadro2`</span></a>
:::

```{toctree}
---
hidden: true
caption: Installation
---

self
build
versions/index
```
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(versions)=

# Version History

```{toctree}
---
caption: Version History
---
v198
v197
v196
v1951
v195
v194
```
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(v194)=

# Release Notes v1.94.0

June 2, 2021

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.

## Features

- Bring back "insert framgent" builder from Avogadro v1 @ghutchis (#591)
- New docs on http://two.avogadro.cc @ghutchis (#568)
- Remove dependency on MoleQueue @cryos (#596)
- Initial Flatpak package @kevinsmia1939
- Improved download widget @ghutchis (#534)
- Reorganize menus - fix #474 @ghutchis (#564)
- Export to SVG @serk12 (#588)
- Symmetry enhancements @ghutchis (#553)
- Added yaehmop with band structure calc @psavery (#339)
- Cp2k input @ghutchis (#383)
- OpenMM script builder plugin @badarsh2 (#343)
- Handle drag-and-drop of files to the window @ghutchis
- Use native message / dialog boxes on Mac @ghutchis
- Download entries from PDB @ghutchis (#575)
- Allow manipulate to rotate selected fragments @ghutchis (#594)
- Add bestFitPlane on Molecule @dvermd (#500)
- Add centerOfGeometry, centerOfMass and radius methods on Molecule @dvermd (#499)
- Reset view (camera) @serk12 (#450)
- Transparent support for ASE "extended XYZ" files @ghutchis (#603)

## 🐛 Bug Fixes

- Switch to using Python 3, fixing #431 @ghutchis (#462)
- Switch Open Babel calls to use CML and non-local numeric format (#471)
- Save background color across sessions and set bg alpha for export @ghutchis
- Add support for cut/copy/clear selected atoms @ghutchis (#510)
- Label toolbar windows for context menu @ghutchis
- Make sure to send Extensions the setActiveWidget call @ghutchis
- Make sure to install Qt image plugins on Mac and Windows @ghutchis
- Fix #483 through stream-specific locale @ghutchis (#549)
- Fix a pile of rendering bugs on high-res by saving viewport @ghutchis (#556)
- Adjust font size for 2D measure labels on hires screens @ghutchis (#548)
- Make sure to check movie sizes for high-dpi screens @ghutchis (#570)
- Fixes silent export on save bug #439 @anubh4v (#517)
- Switch to the navigate tool after pasting coordinates over empty @ghutchis (#593)
- Fix #571 - ensure we read Gaussian files from file, not stream @ghutchis (#592)
- Fix symmetry detection with dummy atoms (e.g, ferrocene example) @ghutchis (#595)

## 🐍 Python Improvements

- Add support for a JSON list of selected atoms @ghutchis (#440)
- Simplify wheel building @psavery (#520)
- Update example Avogadro RPC script @ghutchis

## 🧰 Maintenance

- Switch to using GitHub actions for continual builds @ghutchis (#461)
- Translations update from Weblate @weblate
- Get rid of bits/stdc++ headers - non-portable GCC header @ghutchis (#463)
- Add fedora patches @ghutchis (#460)
- Allow use of HDF5 >= 1.12.0 @berquist (#488)
- Remove exit calls from qtaim code @ghutchis (#475)
- Switch to include spglib.h with no subdir - fixes build issues @ghutchis (#533)
- Update residues from LigandExpo @ghutchis (#572)
- Make VtkPlot more object-oriented @psavery (#379)

## Credits

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
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(v195)=

# Release Notes v1.95.0

Aug 16, 2021

## Changes

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.

## ✨ Features

- New "Layer" system, including custom rendering, locking and hiding parts of the molecule @serk12 (#709)
- Atom and residue labels @serk12 (#715)
- New protein cartoon / ribbon display @serk12 (#660 #694 #716)
- Update render options for Wireframe and Ball-and-Sticks @ghutchis (#700 #720)
- Use MMTF downloads - more efficient than PDB format @ghutchis (#699)
- Add back support for importing crystals @ghutchis (#658 #659)
- Add CJSON support for save/load residues and atom colors @ghutchis (#646)
- Refactor of Python command and input generators, including tabs @ghutchis (#667)
- New View => Apply Colors menu @ghutchis (#640 #723)
- Apply color schemes for residues @ghutchis (#638 #688)
- Add more selection commands, including select by residue @ghutchis (#632 #634)
- Render selected atoms in VdW and licorice modes @ghutchis (#702)
- Detect secondary structure from residues / backbones @ghutchis (#685)
- Save enabled / disabled state of scene / rendering plugins on quit @ghutchis
- Should now download and install translations for @ghutchis

## 🐛 Bug Fixes

- Fix Mac builds by turning off COORDGEN library @ghutchis (#606)
- Fix Windows installer to include all needed files @ghutchis
- Save projection type on close #682 @ghutchis
- Add a pass to fix OB plugin library paths on Mac @ghutchis (#627 #628)
- Fix odd behavior on 'Center' command @serk12 (#728)
- Fix several crashes with proteins @ghutchis (#724 #726 #727)
- Fix crash in CJSON reading file without labels @ghutchis (#722)
- Fix bug deleting selected atoms #650 @ghutchis (#672 #677)
- Fix "delete last atom" bug @ghutchis (#691)
- When dragging to create a new atom, use starting coords @ghutchis (#690)
- Fix #679 - incorrect PDB unit cells @ghutchis (#689)
- Fixed problems inserting SMILES without coordinates @ghutchis (#661)
- Fix for transparent widgets @ghutchis (#656)
- Fix #602 - use Molden order for f-orbitals @ghutchis (#649)
- If a chain ID is missing / invalid, skip (to read non-standard PDB) @ghutchis (#647)
- Make sure to reset colors when changing elements @ghutchis (#708)

## 🧰 Maintenance

- Make sure to install crystals directory even when it exists @ghutchis (#613)
- Replace NULL/0 with nullptr @e-kwsm (#617)
- Add support for reading partial charge models from obabel @ghutchis (#626)
- Replace obsolescent `LINK_(PRIVATE|PUBLIC)` with `(PRIVATE|PUBLIC)` @e-kwsm (#629)
- Refactor Molecules class @serk12 (#648)
- Don't install cclib script - which was removed @ghutchis (#662 #663)

## 📚 Translations

- Fix fuzzy entry for Nihonium (not Zirconium!) @e-kwsm (#618)
- Fix all incorrect fuzzy entries #619 @e-kwsm (#643)
- Remove wrong entries which were fuzzy @e-kwsm (#644)
- Translations update from Weblate @weblate (#625)
- Add a workflow which should update the translation template continuously @ghutchis (#624)

## Credits

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
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(v1951)=

# Release Notes v1.95.1

Aug 26, 2021

This release fixes several bugs in the recent [1.95.0 release](#v195) and is recommended for all users.

Thanks to @drew-parsons and @yurivict for prompt bug reports!

## 🐛 Bug Fixes

- Fix disabled "Balls and Sticks" rendering on a fresh install @serk12 (#744)
- Fix for loading settings @serk12 (#732)
- Add "..." to all input generators to indicate opening a dialog @ghutchis (#743)
- Fix reference axes menu item @ghutchis (#705)
- Continue rendering cartoons even if residues aren't found @ghutchis (#736)
- Enable script formats like cclib to ask for bond perception on read @ghutchis (#738)

## ✨ Features

- Initial display-only property tables @ghutchis (#711)
- Improve selection tool for layers @serk12 (#729)

## 🧰 Maintenance

- Make sure to run tests in avogadrolibs (including some fix for test failures) @ghutchis (#739)

## 📚 Translations

- Translations update from Weblate @weblate (#721)

## Credits

Thanks to many contributors, including: @drew-parsons, @ghutchis, @mrmrcl, @ovari, @serk12 @yurivict, and @weblate
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(v196)=

# Release Notes v1.96.0

June 2, 2022

## Changes

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](https://appimage.github.io/apps/) 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.**

## ✨ Features

- Insert DNA/RNA dialog @ghutchis (#909)
- Render close contacts @aerkiaga (#898)
- Create new layer from selection @ghutchis (#899)
- Tweak the mesh lighting .. now lights "from the top" @ghutchis (#880)
- Add an initial config widget to set mesh colors and opacity @ghutchis (#877)
- Import and retain space group information @ghutchis (#875)
- Write Gaussian cube files @ghutchis (#873)
- Add plugin to focus or unfocus selection @aerkiaga (#868)
- Implement close contact perception logic @aerkiaga (#862)
- Add formal charge to atom property tables @ghutchis (#839)
- Add support for formal charges @aerkiaga (#831)
- Add setting to reverse direction of scroll-to-zoom @ghutchis (#778)
- Tweak icons for label editor and selection @ghutchis (#776)
- Add tooltips to tools @ghutchis (#777)
- Add label editor to create custom labels @serk12 (#740)
- Add a copy graphics action

## 🚀 Performance Fixes

- Subgraph rewrite @aerkiaga (#878)
- Approximate cartoon B-spline from a small local neighborhood @aerkiaga (#860)
- Bond graph optimization @aerkiaga (#832)
- Faster bond perception @aerkiaga (#829)
- Optimize secondary structure @aerkiaga (#833)

## 🐛 Bug Fixes

- Add .cjson extension to files if none is present
- Update atomic masses @ghutchis (#894)
- Fix layer memory crash @ghutchis (#876)
- Fix memory leak with OpenGL: Detaching and deleting shaders/programs on updates @octycs (#855)
- Remove call for Core::Molecule rendering to eliminate casting @ghutchis (#871)
- Fix reading generic file formats with Open Babel @ghutchis (#848)
- Fix erratic editing behavior @aerkiaga (#819)
- Solve problems writing files with no extension @ghutchis (#835)
- Convert 2-letter PDB symbols to appropriate case @aerkiaga (#830)
- Fix Manipulation and Bond Centric Manipulation tools @aerkiaga (#825)
- Fall back to Wikipedia method for dihedral angles @ghutchis (#808)
- Be careful about assign or copy from molecules with no layers @ghutchis (#806)
- Disable dynamic bonding during animation @ghutchis (#767)
- Try to use 'python' in the path as a fallback @ghutchis (#746)

## 🧰 Maintenance

- Fix Valgrind uninitialized errors @aerkiaga (#887)
- Add tests using various sanitizers @ghutchis (#888)
- Make sure to sign and notarize the Mac build @ghutchis (#893) (#885)
- Only build overlayaxes if USE\_OPENGL is enabled @ghutchis (#879)
- Try using Windows 2019 to build wheels @ghutchis (#861)
- Create Codacy scans @ghutchis (#850)
- test ">=0" within machine precision (>-EPS) @drew-parsons (#813)
- Add defaultBehavior method to render plugins @serk12 (#807)
- Update setup.py with long description from README.md and URLs @ghutchis (#750)

## 📚 Translations

- Translations update from Hosted Weblate @weblate
- Automated translation updates @github-actions (#853)
- Minor tweaks to the automated pull request @ghutchis (#761)

## Credits

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
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