 A screenshot of Ghemical 3.0.0 | |
| Developer(s) | Ghemical authors |
|---|---|
| Initial release | 11 April 2000; 25 years ago (2000-04-11)[1] |
| Stable release | |
| Repository | http://bioinformatics.org/cgi-bin/cvsweb.cgi/libghemical/ |
| Written in | C++ |
| Operating system | Unix-like |
| Available in | ? |
| Type | Computational chemistry |
| License | GPL |
| Website | http://bioinformatics.org/ghemical |
Ghemical is acomputational chemistry software package written inC++ and released under theGNU General Public License.[3] The program hasgraphical user interface based onGTK+2 and supportsquantum mechanical andmolecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools. Ghemical relies on external code to provide the quantum-mechanical calculations —MOPAC provides the semi-empiricalMNDO,MINDO,AM1, andPM3 methods, andMPQC methods based onHartree–Fock calculations.
The chemicalexpert system is based onOpenBabel, which provides basis functionality like atom typing, rotamer generation and import/export ofchemical file formats.
| Platform |
| ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GNOME | |||||||||||||||
| Cinnamon | |||||||||||||||
| Xfce | |||||||||||||||
| LXDE | |||||||||||||||
| Graphical shells | |||||||||||||||
| 3rd-party applications |
| ||||||||||||||
