Avogadro Project

@avogadro.cc

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Advanced molecule editor and visualizer Building the next generation of molecular and materials visualization and editing tools https://avogadro.cc/ https://discuss.avogadro.cc/

Screenshot of "Manage Plugins" window in Avogadro2, including over 20 plugins. A table shows several plugins including generators, RDKit, cclib, build-ase, xtb, aimnet2, genice2, TurtleMol, multicharge, antechamber, chiraltube, etc. with a README on the right hand side and buttons to search, install from a local directory, remove selected, and install / update selected

Meme: Corporate needs you to find the differences between this picture and this picture. Text on the left reads "Avogadro 2.0" text on the right reads "Avogadro2 2.0"
Bottom panel depicts Pam from The Office saying "They're the same picture."

Volumetric rendering of the highest occupied molecular orbital (HOMO) of pentacene. Yellow and blue indicate opposite phases of the wavefunction, with color intensity indicating the magnitude of the wavefunction

Rendering of Ziegler–Natta zirconium catalyst with blue-green translucent sphere representing the Zr atom, and ball-and-stick rendering of cyclopentadienyl (Cp) rings and methyl group

Visualization of the COVID spike protein 6vxx with real-time shadows in Avogadro2 to give depth effects. All hydrogen atoms are hidden. Grey spheres are carbon atoms, red spheres are oxygen, blue spheres are nitrogen, and yellow spheres are sulfur atoms.

Screenshot showing a dialog "Geometry Optimization Parameters" with a section "Optimization Method" and "Force field" with a popup menu with a long list: AIMNet2, AIMNet-NSE, ANI-1x, ANI-2x, GAFF, GFN-FF, GFN1, GFN2, LJ, MMFF94, UFF and in the background are "Convergence Criteria" Energy convergence and Gradient convergence and Step limit: 5000 steps, with buttons Cancel and OK

Screenshot of a molecule with a dialog box labeled "Partial Charges" indicating a popup menu with items: ABCG2, AM1-BCC, EEM, EEM 20215, EEQ, EEQ-BC, EQEq, Gasteiger, MMFF94 in front of text label "Colormap" and a button labeled "OK"

Volumetric rendering of LUMO (lowest unoccupied molecular orbital) of DyO2 molecule using Avogadro 1.103 with red and blue "clouds" representing the orbital density

Dialog with text "Autosave files were found from a previous session. Would you like to recover them" and buttons "No" and "Yes"

Screenshot of Avogadro2 using the interactive AutoOptimize tool to minimize a molecule (n-pentane) using the UFF force field. Text reads UFF ΔE = -229.80 kcal/mol

Dialog titled "Vibrational Spectra" showing the computed infrared spectra of caffeine with two plots, one in black labeled "smoothed" and one in red labeled "raw"

Screencast of editing a molecule in Avogadro. Clicking on hydrogen atoms changes into a new carbon atom - the bond extends and new hydrogen atoms are added. This repeats a few times, and then clicking on a hydrogen, a red atom indicating an oxygen is added, the bond extends, then changed to a sulfur, with even longer bond, then changed to an orange selenium atom, with even longer bond.

Volumetric "cloud" rendering of highest occupied molecular orbital (HOMO) of benzene in Avogadro 2

Molecular rendering of a tetrapeptide with translucent van der Waals spheres and balls-and-sticks backbone

Screenshot of Avogadro 1.100 showing molecular orbital list and lowest unoccupied molecular orbital (LUMO) of benzene

Screenshot from Avogadro showing a C60 buckminsterfullerene cage with a translucent sodium atom inside

Molecular depiction of caffeine including solvent accessible surface

Image of gold nanoparticle showing real-time shadows on atom spheres