Avogadro

Avogadro logo

Initial release| February 29, 2008; 16 years ago (2008-02-29)
Stable release|

Avogadro 1.2 / June 15, 2016; 8 years ago (2016-06-15)[1]

Preview release|

Avogadro 2 1.95.1 / August 26, 2021; 2 years ago (2021-08-26)[2]

Repository| sourceforge.net/projects/avogadro
Written in| C++ (Qt)
Operating system| Linux, macOS, Unix, Windows
Platform| IA-32, x86-64
Size| 11.3 MB
Available in| 8 languages

List of languages

Chinese, English, French, German, Italian, Russian, Spanish, Polish

Type| Molecule editor
License| GPL v2
Website| avogadro.cc two.avogadro.cc

Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.[3][4][5][6] It is extensible via a plugin architecture.[7]

## Contents

* 1 Features
* 2 See also
* 3 References
* 4 External links

## Features

Space-filling model of loratadine created using Avogadro.

* Molecule builder-editor for Windows, Linux, Unix, and macOS.
* All source code is licensed under the GNU General Public License (GPL) version 2.
* Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish.
* Supports multi-threaded rendering and computation.
* Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.
* OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.

## See also

## References

1. ↑ "Avogadro 1.2 Released". June 15, 2016. https://avogadro.cc/news/avogadro-1-2-0-released/.
2. ↑ "Avogadro 1.95.1 Released". August 26, 2021. https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.95.1/.
3. ↑ Hanwell, Marcus D; Curtis, Donald E; Lonie, David C; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R (2012). "Avogadro: An advanced semantic chemical editor, visualization, and analysis platform". J. Cheminform. 4 (1): 17. doi:10.1186/1758-2946-4-17. PMID 22889332.
4. ↑ Ral Mera-Adasme; Fernando Mendizbal; Claudio Olea-Azar; Sebastin Miranda-Rojas; Patricio Fuentealba (2011). "A Computationally Efficient and Reliable Bond Order Measure". J. Phys. Chem. A 115 (17): 4397–4405. doi:10.1021/jp107498h. PMID 21469689. Bibcode: 2011JPCA..115.4397M.
5. ↑ Michael Salciccioli; Weiting Yu; Mark A. Barteau; Jingguang G. Chen; Dionisios G. Vlachos (2011). "Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments". J. Am. Chem. Soc. 133 (20): 7996–8004. doi:10.1021/ja201801t. PMID 21526776.
6. ↑ Open Babel documentation Author: Geoffrey R Hutchison; Noel M O'Boyle; Blue Obelisk (organization)
7. ↑ Avogadro website

## External links

* v
* t
* e

Computational chemistry software

Cheminformatics|

| Open-source|

* Avalon Cheminformatics Toolkit
* Bioclipse
* Blue Obelisk
* Chemistry Development Kit
* ECCE
* JOELib
* OELib
* Open Babel
* RDKit

|

Proprietary|

* Canvas
* Chemicalize
* Discovery Studio

Chemical kinetics|

| Open-source|

* APBS
* Cantera
* KPP

|

Proprietary|

* Autochem
* Chemical WorkBench
* CHEMKIN
* COSILAB
* DelPhi
* Khimera

Molecular modelling and visualization|

List of molecular graphics systems

| Open-source|

* Ascalaph Designer
* Avogadro
* BALL
* Biskit
* CPMD
* Gabedit
* Ghemical
* Jmol
* Molekel
* PyMOL
* QuteMol
* RasMol

|

Proprietary|

* Abalone
* ACD/ChemSketch
* Atomistix ToolKit
* ChemDraw
* EzMol
* Gaussian
* Maestro
* MarvinSketch
* MarvinView
* MODELLER
* Molecular Operating Environment
* Spartan
* UCSF Chimera
* VMD

Molecular docking|

List of protein-ligand docking software

| Open-source|

* AutoDock
* AutoDock Vina
* FlexAID
* rDock

|

Proprietary|

* Glide
* Molecular Operating Environment

Molecular dynamics|

| Open-source|

* GROMACS
* LAMMPS
* OpenMM
* PLUMED

|

Proprietary|

* Abalone
* AMBER
* CHARMM
* Desmond
* GROMOS
* NAMD

Quantum chemistry|

List of quantum chemistry and solid-state physics software

| Open-source|

* ABINIT
* ACES (CFOUR)
* AIMAll
* BigDFT
* CP2K
* DACAPO
* Dalton
* DP code
* FreeON
* HORTON
* MADNESS
* MPQC
* NWChem
* Octopus
* PSI
* PyQuante
* PySCF
* Quantum ESPRESSO (PWscf)
* RMG
* SAMSON
* SIESTA
* VB2000
* YAMBO code

|

Proprietary|

* ADF
* AMPAC
* DMol3
* CADPAC
* CASINO
* CASTEP
* COLUMBUS
* CONQUEST
* CPMD
* CRUNCH
* CRYSTAL
* DIRAC
* Firefly
* GAMESS (UK)
* GAMESS (US)
* Gaussian
* Jaguar
* MOLCAS
* MOLPRO
* MOPAC
* ONETEP
* OpenAtom
* ORCA
* PARSEC
* PLATO
* PQS
* Q-Chem
* Quantemol
* Scigress
* Spartan
* TeraChem
* TURBOMOLE
* VASP
* WIEN2k
* XMVB

Skeletal structure drawing|

| Open-source|

* BKChem
* JChemPaint
* JME Molecule Editor
* Molsketch
* XDrawChem

|

Proprietary|

* ACD/ChemSketch
* ChemDoodle
* ChemDraw
* MarvinSketch

Others|

* Aqion
* Eulim
* EXC code
* GenX
* GSim
* ICM (ICM-Browser)
* Materials Studio
* Molden
* OpenChrom
* RubyChem
* SASHIMI

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