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About Avogadro2

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

What's new in 1.100.0

🌟 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 - Add support for reading and rendering DNA / RNA backbones - Improve python selection dialog - Calculate and render dipole moments - Edit molecule name, charge, and spin in properties - Improve manipulate dialog - rotate around origin, molecule center, selection center - Update the template tool to place ligands or functional groups - Support for additional secondary structures (3-10 and pi helix) @TactfulDeity - Implement g orbitals - cp2kinput improvements @e-kwsm - Add support to render atomic partial charge labels - Add support to render bond lengths - Add HOMO and LUMO energies to molecular properti...

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