![]() | |
Developer(s) | OctaDist development team |
---|---|
Initial release | 8 January 2019; 5 years ago (2019-01-08) |
Stable release | 3.0.0 / 9 March 2021; 3 years ago (2021-03-09) |
Repository | github |
Written in | Python (Tkinter) |
Operating system | Windows, macOS, Linux |
Platform | IA-32, x86-64 |
Available in | English |
Type | Crystallography, inorganic chemistry, cheminformatics |
License | GPL 3.0 |
Website | octadist |
OctaDist is computer software for crystallography and inorganic chemistry program. It is mainly used for computing distortion parameters of coordination complex such as spin crossover complex (SCO), magnetic metal complex and metal–organic framework (MOF).
The program is developed and maintained in an international collaboration between the members of the Computational Chemistry Research Unit at Thammasat University,[1] the Functional Materials & Nanotechnology CoE at Walailak University[2] and the Switchable Molecules and Materials group at University of Bordeaux.[3]
OctaDist is written entirely in Python binding to Tkinter graphical user interface toolkit. It is available for Windows, macOS, and Linux. It is free and open-source software distributed under a GNU General Public License (GPL) 3.0.
The following are the main features[4] of the latest version of OctaDist:
Computational chemistry software
| |||||
---|---|---|---|---|---|
Cheminformatics |
| ||||
Chemical kinetics |
| ||||
Molecular modelling and visualization | List of molecular graphics systems
| ||||
Molecular docking | List of protein-ligand docking software
| ||||
Molecular dynamics |
| ||||
Quantum chemistry | List of quantum chemistry and solid-state physics software
| ||||
Skeletal structure drawing |
| ||||
Others |
|