Avogadro is a molecular editor and visualizer for cross-platform molecular modeling, material science, computational chemistry, and bioinformatics purposes. It allows the user to study, change, and remodel structures of molecules. The program is capable of multi-thread rendering, computations, and has plug-in architecture for interactive tools, Python scripts, and commands. Users can also import crystals, bio-molecules, chemical files, and multiple computational packages to the application.
Avogadro features a Crystal Library that includes over 480 files comprising different crystals. The library includes all the elements, sulfides, oxides, III-V semiconductors, and structure types. A Crystallography extension offers the user crystal structuring with customizable coordinates, scaling of unit cells, editing of coordinates, , and perception of space groups. The extension also has the ability to reduce to a basic unit cell, and generate and view slabs and surfaces with uninformed Miller planes. Builder options allow the user to invert chirality, enlarge the fragment library, and use a TubeGen Nanotube. The program features an Orbital window that displays the orbital symmetries and energies, and allows the user to select orbitals for rendering the surface.
The user interface displays a view window on the right to display the molecular model or crystal. On the top left corner, several tools provide the user with rendering objects or actions. On the bottom left corner is a display square with selection boxes for the user to view certain molecules or as a whole chemical.