Package: ghemical (1.91-2ubuntu2) [universe]
Links for ghemical
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Download Source Package ghemical:
Maintainer:
Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.
Original Maintainer (usually from Debian):
- Michael Banck
It should generally not be necessary for users to contact the original maintainer.
Similar packages:
A GNOME molecular modelling environment
Ghemical is a computational chemistry software package written in C++. It has a graphical user interface and it supports both quantum- mechanics (semi-empirical) models and molecular mechanics models. Geometry optimization, molecular dynamics and a large set of visualization tools using OpenGL are currently available.
Ghemical relies on external code to provide the quantum-mechanical calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come from the MOPAC7 package (Public Domain), and are included in the package. The MPQC package is used to provide ab initio methods: the methods based on Hartree-Fock theory are currently supported with basis sets ranging from STO-3G to 6-31G**.
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Download ghemical
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 1,336.6 kB | 2392 kB | [list of files] |
| i386 | 1,309.3 kB | 2296 kB | [list of files] |
| powerpc | 1,329.2 kB | 2340 kB | [list of files] |