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Avogadro is a free and open-source molecular modeling software with a wide range of features for visualizing, manipulating, and analyzing molecules. It's known for its user-friendly interface, powerful capabilities, and extensive plugin support, making it a popular choice for scientists, educators, and students in various fields like chemistry, materials science, and biochemistry...
Here's a breakdown of Avogadro's features:
Visualization:
3D molecular viewer: Avogadro offers a 3D viewer for displaying molecules in various styles (ball-and-stick, space-filling, wireframe, etc.) with customizable colors and sizes.
Animation capabilities: You can animate rotations, vibrations, and other dynamic behaviors of molecules to gain insights into their structure and function.
Orbital visualization: Avogadro can visualize molecular orbitals and electron densities, providing valuable information about electronic properties.
Surface and isosurface rendering: Generate surfaces and isosurfaces to represent different properties like electrostatic potential, electron density, or solvent accessible area.
Manipulation:
Building and editing molecules: Intuitively build and modify molecules using various drawing tools, selection options, and snapping features.
Geometry optimization: Minimize the energy of a molecule to find its most stable configuration using built-in optimization algorithms.
Conformations and tautomers: Generate and explore different conformations and tautomeric forms of a molecule to understand its flexibility and reactivity.
Chemical reactions: Set up and visualize simple chemical reactions with basic bond breaking and formation tools.
Analysis:
Measurements: Calculate various properties like bond lengths, angles, dihedral angles, and molecular weight.
Vibrational analysis: Analyze the vibrational modes of a molecule using built-in frequency calculations.
Electrostatic potential calculations: Calculate and visualize the electrostatic potential around a molecule to understand its interactions with other molecules or surfaces.
Docking simulations: Perform basic docking simulations to study how molecules bind to each other.
Additional features:
Extensive plugin support: Avogadro supports a vast library of plugins that extend its functionality to perform advanced tasks like molecular dynamics simulations, quantum chemical calculations, and biomolecular analysis.
Scripting and automation: Automate repetitive tasks and customize Avogadro's behavior with Python scripting.
Output and file formats: Export molecules and data in various formats for further analysis with other software.
Cross-platform compatibility: Avogadro runs on Windows, macOS, Linux, and other operating systems.
Overall, Avogadro is a versatile and powerful tool for anyone working with molecules. Its intuitive interface, comprehensive features, and plugin support make it a valuable asset for various scientific and educational purposes.
Size: 10.76 MB
Mirror link: Download