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Ghemical is computational chemistry packageGhemical is a computational chemistry software package written in C++ and released under the GNU GPL. The program has GUI 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.
Version: 3.0.0 License: GPL-2+
GitHub
| Maintainers | No Maintainer |
| Categories | science |
| Homepage | http://www.bioinformatics.org/ghemical/ghemical/ |
| Platforms | darwin |
| Variants |
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