Avogadro2: baixar versions anteriors

We are pleased to announce the latest release of Avogadro, including piles of bug fixes and many feature enhancements. Thanks to many for suggestions, bug reports, translations, and discussions. Avogadro is built from the community, and we appreciate all the help.
Avogadro v2 was designed for fast modern rendering and improved stability. It is a platform to make it easy to build the next generation of molecular and materials visualization and editing tools. If you haven't used an Avogadro2 beta (1.95 through 1.103) you will find many new features.
🌟 Highlights (tldr)
- New plugin system will load menu commands, input generators, file formats, energy and electrostatic models, including installation of any required libraries and tools using [pixi](https://pixi.prefix.dev/latest/installation/) on Mac and Windows. (Highly recommended on Linux too)
- New plugin install window and index, including over 20 plugins (and growing)
- Includes a variety of ML potentials, charge assignment using AM1-BCC and ABCG2, building nanotubes and surface slabs, generating disordered ice unit cells, and many more.
- Easy to build and customize with Python - link to a wide variety of packages
- Faster geometry optimizations ~50% faster on all models, and up to 5-10x faster on large molecules using UFF.
- Added a faster protocol for using external energy models, including ML potentials, XTB, and more.
- Added a simple molecular dynamics mode to the AutoOpt tool, including with energy models.
- Improved ORCA input generator, including syntax highlighting
- [Revised, updated documentation](https://two.avogadro.cc/docs/)
✨ Features
- Add keyboard shortcuts for next file (Ctrl+Tab) and previous file (Ctrl+Shift+Tab) @brockdyer03 (#795)
- Add keyboard shortcuts for going forward / backwards in animations @ghutchis (#2760)
- If the molecule changes (e.g., plugin) render a new cube @ghutchis (#2731)
- Allow user-options metadata to be "dynamic" and call the script @ghutchis (#2703)
- Add support for reading from a filename (e.g., hd5 file) @ghutchis (#2695)
- Move autoopt and forcefield optimizations off the main GUI thread @ghutchis (#2700)
- For local installs, use the README @ghutchis (#2692)
- Adjust format of command script menu paths @matterhorn103 (#2682)
- fix: add label font scale setting for display customization @newtontech (#2662)
- Updated "manage plugins" interface @ghutchis (#2646)
- Update the energy-model (scriptenergy.cpp) to allow user-options @ghutchis (#2660)
- Enable user-options for commands and input-generators to be TOML files @ghutchis (#2643)
- Update plugin installer for packages @ghutchis (#2639)
- Implement new plugin framework @ghutchis (#2626)
- Add faster scriptenergy protocol @ghutchis (#2621)
- Allow a context menu to select the partial charge model @ghutchis (#2609)
- Add write support for molden @ghutchis (#2602)
- Add simple molecular dynamics @ghutchis (#2527)
🚀 Performance Improvements
- Update the binary protocol for energy+grad and Hessian @ghutchis (#2699)
- Refactor to use newest cppoptlib (C++17) and make it private @ghutchis (#2697)
- Improve latency with binary mode @ghutchis (#2667)
- Add faster scriptenergy protocol @ghutchis (#2621)
🔌 Plugins
- Add more syntax highlighting options and add support for dark mode. @brockdyer03 (#2709)
- Clean the pixi cache every 30 days @ghutchis (#782)
- Add support for removing old plugins on first launch @ghutchis (#775)
- Update plugin installation message @ghutchis (#765)
- Add code to load new packages out of directories for install @ghutchis (#739)
🐛 Bug Fixes
- Parse PDB space group from CRYST1 record @ghutchis (#2771)
- Make sure to clear old cubes and meshes when generating VdW, etc. @ghutchis (#2769)
- Fix default colors for spectra dialog to be dark/light theme aware @ghutchis (#2767)
- Make sure to capture the FBO before initialize @ghutchis (#2768)
- Use bold font for active file or layer - works better w/dark mode @ghutchis (#2756)
- Fix wireframe render @ghut

🌟 Highlights (tldr)
- Switch to use OpenGL 4.0 core profile for improved rendering speed
- Volumetric rendering style for surfaces (orbitals, electron density, spin density)
- Add peptide builder
- Add keyboard shortcuts for functional groups and ligands to template tool
- Display both alpha / beta orbitals in the orbital window
- Performance optimizations for basis set calculations
- Improved heuristics for opening CIF and crystallographic files
- Update conformer plots for RMSD and energy
- Support for isotope specification for atoms
- Improved LAMMPS and Turbomole support
- Many thanks to everyone for bug reports, suggestions and ideas!
✨ Features
- Typeset the Hall symbols using HTML @ghutchis (#2572)
- Tweak the "Fill Unit Cell" and add "Fill Translational Cell" for DFT packages @ghutchis (#2571)
- Add a warning if attempting to fill a primitive cell @ghutchis (#2569)
- Allow export to the same filename (and format) from the warning dialog @ghutchis (#714)
- Re-enable JSON-RPC support @ghutchis (#699)
- Updated AutoSave Feature @ghutchis (#668)
- Add an "export graphics" toolbar button @ghutchis (#681)
- Read molfile / sdf conformers @ghutchis (#2563)
- Add support for reading elements from VASP OUTCAR formats @ghutchis (#2567)
- Volumetric rendering support @ghutchis (#2559)
- Update arrow rendering for force and dipoles @ghutchis (#2545)
- Support pdb trajectories @ghutchis (#2560)
- Migrate to OpenGL 4.0 core profile @ghutchis (#2548)
- Orbital table - add "occupation" arrows instead of status @ghutchis (#2542)
- Improved Lammps import @e-kwsm (#2504)
- feat(CrystalTools): enable rotateToStandardOrientation to convert cell to right-handed system @e-kwsm (#2492)
- Set a better default zoom for orthographic projection @ghutchis (#2480)
- Change shift modifier to twist, not twist-and-zoom @ghutchis (#2476)
- Tweak edit and template tool to rotate, etc. with modifier keys @ghutchis (#2475)
- Add imported spectra, vibrational and magnetic CD support to spectra dialog @ghutchis (#2444)
- Add support for custom residue labels @ghutchis (#2424)
- Put the axes back as a scene plugin / display type @ghutchis (#2423)
- feat(Turbomol): output $isosub @e-kwsm (#2393)
- fix(Turbomole): use $coord angs for read @e-kwsm (#2418)
- Turbomole: support $periodic @e-kwsm (#2379)
- Update Conformer plots for RMSD and Energy @ghutchis (#2382)
- Add peptide builder @ghutchis (#2351)
- Enable the XRD display from other programs (just return a spectra) @ghutchis (#2385)
- Fixes to constraints dialog @jcerezochem (#2384)
🐛 Bug Fixes
- Fix formula computation with unit cells to account for edges and corners @ghutchis (#2587)
- Use a looser criteria for detecting identical atoms with Fill Cell @ghutchis (#2578)
- Added code to handle corrupted CJSON input (#2578)
- Fix incorrect layer info in CJSON @ghutchis (#2568)
- During animation and vibrations, don't update properties frequently @ghutchis (#2536)
- Ensure end frame value is properly set in playertool @ghutchis (#2539)
- Add a guard against recursion for property tables @ghutchis (#2535)
- Use LC_NUMERIC=C for AppImage run script @ghutchis (#2533)
- Redraw the plot when changing spectra shift and offset @ghutchis (#2532)
- Re-enable editing the molecule name, broken by #2523 @ghutchis (#2531)
- Fix issues for interactive undo/redo crashes @ghutchis (#2524)
- fix(Hdf5DataFormat): fix memory leak @e-kwsm (#2511)
- Only request name updates when the dialog is open @ghutchis (#2523)
- Fix a crash when deleting atoms from an imported molecule @ghutchis (#2513)
- Fix crash when using the align tool and switching molecules @ghutchis (#2515)
- Running commands with pixi would fail because asyncExecute was called @ghutchis (#2510)
- Migrate the name code away from the model - hopefully less crash-prone @ghutchis (#2509)
- For orthographic projection go back to frustrum planes @ghutchis (#2482)
- Fix jump in light source from opaque to translucent @ghutchis (#2481)
- If we encounter a 2D molfile use 

- This release fixes a number of bugs in the recent 1.102.0 release. Many thanks to everyone submitting bug reports!
- It also offers test releases for Linux-ARM64 and Windows-ARM64. If you try these out, please let us know your experience!
✨ Features
- Add an estimated time progress dialog, particularly for surfaces @ghutchis (#2328)
🐛 Bug Fixes
- Fix the dialog for "update available" @ghutchis (#648)
- Fix Windows uninstall script to run unattended @ghutchis (#650)
- Fix bug when file was saved even if the user hit cancel @ghutchis (#653)
- Fix a bug in Linux AppImage that prevented GAFF and MMFF94 force field optimizations
- Add some logic to handle running when the user doesn't install Python @ghutchis (#2337)
- Some fixes for the ARM64 AppImage @ghutchis (#2332)
- Fix bug in which plugin installation dialog doesn't close @ghutchis (#2331)
- Add a sanity check for OB force fields - make sure they work @ghutchis (#2327)
- Fix a bug with calling default python when pixi is not available @ghutchis (#2325)
- Fix a few bugs in the constraints dialog @ghutchis (#2324)
- For now, don't bundle pixi with the AppImage @ghutchis (#2323)
🧰 Maintenance
- Minimize code duplication with a checkout action @ghutchis (#2339)
- Update GitHub Actions to use current SHA for more secure builds @ghutchis (#2338)
- Add a Windows-ARM native build for testing @ghutchis (#2335)
- Add an ARM64 build including AppImage @ghutchis (#2326)
- Add build status badges for Linux, Windows, and macOS @ghutchis (#2318)
- Fix windows build script @ghutchis (#2315)
📚 Translations
- Automated translation updates @github-actions[bot] (#2333)
Credits
Thanks to many contributors, including: @dependabot[bot], @ghutchis, @weblate, dependabot[bot] and github-actions[bot]

🌟 Highlights (tldr)
- This release is intended as a final beta before a 2.0 stable release
- Add the popular auto optimize tool
- Updated charts, including spectra using the JKQtPlotter framework
- Both macOS and Windows releases have migrated to the new Qt6 framework
- Windows releases are now offered in the Microsoft Store as well as signed MSIX packages
- Use pixi if available to install Python and plugins
- A pile of bug fixes, updated language translations, and more
✨ Features
- Add an "add molecule" + icon in the molecule list @Daniel-Aguila (#2285)
- Show frozen atoms or constrained bonds, atoms, torsions in the property views @ghutchis (#2279)
- Add UI support for freezing X, Y, Z axis @ghutchis (#2276)
- Update animation tool with start and end frames @ghutchis (#2058)
- Use JKQtPlotter for charts (e.g. spectra) @ghutchis (#2220)
- Easier to save plots to graphics, SVG, or PDF including a preview
- Add wireframe style for surfaces @ghutchis (#2201)
- Add support for UFF optimization with unit cells
- Update the ORCA input generator with support for constraints and frozen XYZ atoms
🐛 Bug Fixes
- Make isoValue in Molecular Orbital window consistent with Surfaces dialog @Kcorbyerd (#2312)
- Fix selection of atoms in orthographic projection @ghutchis (#2294)
- Disable split view to prevent crashing @ghutchis (#2298)
- Fix several bugs with UFF angle gradients found with AutoOptimize (#2240)
- Don't reset the camera when switching molecules @ghutchis (#629)
- Update the about dialog to handle light-dark themes @ghutchis (#624)
- Fix File → Close behavior @Daniel-Aguila (#623)
- Fix installation of Python with pixi, repeatedly ask @ghutchis (#2290)
- Fix overly verbose MDL / SDF debug messages about M CHG, etc. @ghutchis (#2277)
- Fix #1965 - don't create the progress box until needed @ghutchis (#2274)
- Fix crash with undo / redo from template tool @ghutchis (#2272)
- Fix the missing "close" icon for the molecule model @ghutchis (#2273)
- Fix possible crashes in cube generation due to mutex locking @ghutchis (#2267)
- Don't start the forcefield setup at launch @ghutchis (#2258)
- Fix reading MO from Molden, including correct eV conversion @ghutchis (#2237)
- Ignore the Mutex when deleting Cubes @ghutchis (#2233)
- Read and write cube data and surfaces in cjson files @ghutchis (#2230)
- Make sure to read Mulliken partial charges from fchk files @ghutchis (#2231)
- fix(XYZ): fix parser of totalEnergy @e-kwsm (#2225)
- Fix reading open-shell ORCA calculations @ghutchis (#2223)
- Check SMILES and pop up a warning if there's something wrong @ghutchis (#2206)
🚀 Performance Improvements
- Don't start the forcefield setup at launch @ghutchis (#2258)
🧰 Maintenance
- Fix incorrect usage of .empty method when .clear() was intended @ghutchis (#2295)
- add Turbomole test and improve parser @e-kwsm (#2212)
- Fix QtTesting record scripts and playback @ghutchis (#625)
- Complete the AppxManifest @ghutchis (#615)
- Adapt Flatpak manifest for VTK->JKQtPlotter transition @matterhorn103 (#609)
- fix: explicitly include <cassert> @e-kwsm (#2288)
- Compress PNG files with ImageOptim @ghutchis (#2286)
- Add some very basic quantum IO unit tests @ghutchis (#2275)
- Add calc unit tests @ghutchis (#2269)
- Add a lot more unit cell tests @ghutchis (#2271)
- Make sure to codesign all components before notarizing @ghutchis (#2259)
- Add Qt6 packages for macOS and Windows @ghutchis (#2261, #2234)
- refactor(lexicalCast)!: use std::optional for return value @e-kwsm (#2232)
- build: update path to avogadrogenerators @e-kwsm (#2197)
- fix(Variant): remove unused char member from union, and add missing template specialization for char @e-kwsm (#2216)
- Use MACOS define instead of OSX (deprecated) @ghutchis (#2214)
- Create OSSF security scorecard.yml @ghutchis (#2209)
- Drop MMTF format test since it's unsupported. @ghutchis (#2205)
- Use vcpkg to install eigen3 libarchive libxml2 and zlib @ghutchis (#2203)
- docs: fix -Wdocument @e-kwsm (#2198)
- Try 

🌟 Highlights (tldr)
- This release is intended to fix key problems with 1.100 on Windows (missing Open Babel) as well as on macOS 26 "Tahoe" (save dialogs)
- Should more easily find Python installs on Windows
- Added support for constraints for geometry optimizations
- Added an internal UFF implementation
- Tweaked the edit tool to adjust bond lengths when the bond order or element change via click
- A pile of bug fixes, updated language translations, and more
✨ Features
- Support for a WebMO plugin @ghutchis (#2172)
- Add a copy-as-xyz command @ghutchis (#2150)
- Add constraints to property tables & save with CJSON @ghutchis (#2118)
- Add constraints for geometry optimization @ghutchis (#2096)
- Switch template tool to use updated SVG images @ghutchis (#2075)
- Improve cp2kinput @e-kwsm (#2067)
- If a cube exists (e.g., read from a file), create a default mesh @ghutchis (#2053)
- Update the molecule UI list to include richtext formulas @ghutchis (#2028)
- Add an internal implementation of UFF @ghutchis (#1963)
- When click-to-edit bond order also adjust the bond length @ghutchis (#2012)
- When clicking to change an element, tweak the bond length too @ghutchis (#2011)
- Add more options to the GAMESS input file generator @JorgeG94 (#1986)
- Rename "Meshes" interface text to "Surfaces" @ghutchis (#2009)
- Fix reading Chemeleon exyz files with no quotes around the Lattice @ghutchis (#2001)
- Add support for "allxyz" from Orca - trajectory files @ghutchis (#1995)
- Rename Analysis menu to imperative Analyze to match others @matterhorn103 (#1978)
- Add mode numbers to Vibrational Modes table @jcerezochem (#1952)
- Recognize *.tmol as turbomole @e-kwsm (#2185)
- Recognize CONTCAR and *.vasp as VASP geometry files @e-kwsm (#2152)
- Switch molecule list to enable rich-text formulas
🐛 Bug Fixes
- Reject files with invalid cell matrix @e-kwsm (#2191)
- Try to fix extraction on Windows using tar.gz instead of zip @ghutchis (#2193)
- Tweaks to support field names from Psi4 fchk @ghutchis (#2186)
- Fix generic "archive warn" messages for the download window @ghutchis (#2183)
- Fix possible crashes reading PDB files with few residues @ghutchis (#2182)
- Add additional search paths for Python on Windows @ghutchis (#2179)
- Fix #2176 parsing files with ¹¹⁸Og and ¹¹⁹Uue @e-kwsm (#2177)
- Fix cml xmlns URI @e-kwsm (#2156)
- Fix nullptr dereference @e-kwsm (#2135)
- fix(templatetool): do not localize functional groups @e-kwsm (#2169)
- Export mol/sdf with proper header @ghutchis (#2133)
- fix(Unit Cell Editor): reject modification of cell and fractional matrices if singular @e-kwsm (#2094)
- chore(input): reduce singleStep @e-kwsm (#2093)
- Fix UFF analytical gradients @ghutchis (#2088)
- Fix some crashes exposed with fuzz testing @ghutchis (#2086)
- fix(wrapFractional): fix comparison @e-kwsm (#2080)
- Fix a bug when changing the bond order atoms wouldn't move properly @ghutchis (#2072)
- Fix crash on Linux when deleting non-hydrogen atoms @ghutchis (#2070)
- fix(cjson): fix properties parsing @e-kwsm (#2068)
- Make sure to save label options for atoms, bonds and residues @ghutchis (#2052)
- Fix bug with manual rotations around axes @ghutchis (#2016)
- Fix reading Gaussian cube - make sure to set origin correctly @ghutchis (#2000)
- Fix bug with Rename Elements window @pillose (#1989)
- Make sure to cancel "Insert SMILES" @ghutchis (#1969)
- Fix dark theme - make sure to use default text and document-close icons @ghutchis (#1967)
- Make sure to delete bonds even when "adjust hydrogens" is off @ghutchis (#1966)
- Make sure Gaussian fchk orbitals are read with eV energies @ghutchis (#1958)
- Harden file readers (from fuzz tests) @ghutchis (#1950)
- Fix minor warning about "undef" layer caused by QTAIM changes @ghutchis (#2023)
- Fix bug with fog not starting with the correct background color
- Add support for detecting theme change events - update tool icons
- When multiple files are dropped, make sure to queue them for reading
- Make sure to 

🌟 Highlights (tldr)
- New rendering options, including depth-of-field blur and fog from @perminder-17
- Faster surface mesh generation using the flying edges algorithm @perminder-17
- Brought back the "molecular orbitals" panel @ghutchis
- Support for translucent balls-and-sticks, van der Waals spheres, and licorice rendering including per-layer customization @ghutchis
- New, improved Flatpak package from @matterhorn103 including support for ARM
- New conformer properties window @ghutchis
- New improved molecular properties window, including charge and spin multiplicity, HOMO and LUMO energies, total energies and other properties (depending on file format) @ghutchis
- Many more properties parsed from ORCA output files including Hirshfeld, MBIS, and CHELPG charges @ghutchis
- Code signing on Windows to minimize Defender warnings @ghutchis thanks to SignPath
- Support for latest Qt6 on Linux @matterhorn103
✨ Features
- Improved spectra plots, including NMR, UV and CD spectra (#1874)
- Add support for reading and rendering DNA / RNA backbones (#1831)
- Improve python selection dialog (#1844)
- Calculate and render dipole moments
- Edit molecule name, charge, and spin in properties (#1810)
- Improve manipulate dialog - rotate around origin, molecule center, selection center (#1774)
- Update the template tool to place ligands or functional groups (#1777)
- Support for additional secondary structures (3-10 and pi helix) @TactfulDeity (#1746)
- Implement g orbitals (#1826)
- cp2kinput improvements @e-kwsm (#1702)
- Add support to render atomic partial charge labels (#1726)
- Add support to render bond lengths (#1871)
- Add HOMO and LUMO energies to molecular properties (#1803)
- Add Shortcut Keys to navigate/modify tools (Issue #1794) @Milziade (#1807)
- Add "change elements" dialog (#1863)
- Editing molecular charge / spin => input generators and plugins
📄 File Format Improvements:
- Parse inputParameters if present in cjson (#1849)
- Read radicals from SDF / Molfile (#1848)
- Parse more MOPAC aux properties including coordinates (#1843)
- Parse CHELPG charges from ORCA output too (#1829)
- Export to XYZ format with 10 decimal precision as per forum debate (#1824)
- Read MBIS charges from ORCA output (#1823)
- Read multiple ORCA coordinate sets (#1808)
- Parse NMR spectra from ORCA (#1799)
- Parse ORCA electronic spectra (#1797)
- Add basic support for v3000 molfiles, including for large molecules (#1765)
- Small patch to parsing XYZ trajectories to handle ORCA 6 separators (#1705)
- Add support for reading and writing atom force vectors (#1674)
- Support reading files in UTF-16 format
🐛 Bug Fixes
- Allow surface generation to be cancelled (#1894)
- Add progress bar for optimizations, including cancel (#1893)
- Switch text rendering to use interpolation (#1917)
- Fix code for haptic ligands. Pick the furthest dummy to attach (#1916)
- Only enable the PQR search command if the site is reachable (#1892)
- Tweak the centroid and center-of-mass commands (#1891)
- Fix manipulate and label tools to rotate by default (#1861)
- Fix right-click to delete a hydrogen and adjusting after deleting a bond (#1896)
- Copy bonds and bond orders when generating super cells (#1898)
- Fix parsing molecular orbital coefficients in some ORCA output files (#1899)
- Handle upper-case [ATOMS] line in Molden files from Cfour (#1785)
- Fix plugin downloader @matterhorn103 (#1767)
- Prevent a possible unhandled exception from parsing JSON (#1742)
- Fix crash when creating ligands from the clipboard -- off-by-one bug (#1739)
- Ensure BABEL_LIBDIR and BABEL_DATADIR are set properly on Mac (#1736)
- Fix XYZ trajectories - prevent final frame with 0,0,0 coords (#1720)
- Make sure the measure tool has a good contrast with background color (#1718)
- Switch import format for Open Babel to CJSON if supported (#1707)
- Fix perception of amide nitrogens - should be sp2-like (#1652)
- Default tool wasn't set properly, so rotations, etc. ignored (#1647)
- Add more erro