Paket: ghemical (2.95-3) [universe]
Links für ghemical
Ubuntu-Ressourcen:
Quellcode-Paket ghemical herunterladen:
Betreuer:
Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.
Original Maintainers (usually from Debian):
- Debichem Team (E-Mail-Archiv)
- LI Daobing
- Michael Banck
- Daniel Leidert (dale)
It should generally not be necessary for users to contact the original maintainer.
Externe Ressourcen:
- Homepage [bioinformatics.org]
Ähnliche Pakete:
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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ghemical herunterladen
| Architektur | Paketgröße | Größe (installiert) | Dateien |
|---|---|---|---|
| amd64 | 1.808,7 kB | 2.936,0 kB | [Liste der Dateien] |
| i386 | 1.798,6 kB | 2.896,0 kB | [Liste der Dateien] |