Ghemical

Ghemical

A screenshot of Ghemical 2.0.1.
Developer(s)	Ghemical authors
Initial release	?
Repository	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 a computational chemistry software package written in C++ and released under the GNU General Public License.^[1] The program has graphical user interface based on GTK+2 and supports quantum mechanical and molecular 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-empirical MNDO, MINDO, AM1, and PM3 methods, and MPQC methods based on Hartree–Fock calculations.

The chemical expert system is based on OpenBabel, which provides basis functionality like atom typing, rotamer generation and import/export of chemical file formats.

See also

• Open Babel — chemical expert system
• XDrawChem — 2D drawing program, also based on Open Babel
• Molecule editor
• Avogadro (software)

References

External links

• Ghemical home page
• Ghemical version that interfaces GAMESS (US)
• Ghemical plugin for Bioclipse
• A Guide to Ghemical in finnish^{[permanent dead link]} (in Finnish)

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This page was last edited on 17 July 2023, at 22:10