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[ Bron: ghemical ]
Pakket: ghemical (3.0.0-3)
Verwijzigingen voor ghemical
Trisquel bronnen:
Het bronpakket ghemical downloaden:
Beheerder:
Original Maintainers:
- Debichem Team (Mailarchief)
- Michael Banck
Externe bronnen:
- Homepage [bioinformatics.org]
Vergelijkbare pakketten:
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**.
Andere aan ghemical gerelateerde pakketten
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- dep: libc6 (>= 2.4)
- GNU C Library: Shared libraries
Ook een virtueel pakket geboden door: libc6-udeb
-
- dep: libgcc1 (>= 1:3.0)
- GCC support library
-
- dep: libgdk-pixbuf2.0-0 (>= 2.22.0)
- GDK Pixbuf library
-
- dep: libghemical5v5
- Molecular Modelling Library
-
- dep: libgl1-mesa-glx
- transitional dummy package
- of libgl1
- Vendor neutral GL dispatch library -- legacy GL support
-
- dep: libglade2-0 (>= 1:2.6.4-2~)
- library to load .glade files at runtime
-
- dep: libglib2.0-0 (>= 2.31.8)
- GLib library of C routines
-
- dep: libglu1-mesa
- Mesa OpenGL utility library (GLU)
- of libglu1
- virtueel pakket geboden door libglu1-mesa
-
- dep: libgtk2.0-0 (>= 2.8.0)
- GTK+ graphical user interface library
-
- dep: libgtkglext1
- OpenGL Extension to GTK+ (shared libraries)
-
- dep: liboglappth2
- Oglappth Library
-
- dep: libopenbabel4v5
- Chemical toolbox library
-
- dep: libpango-1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
-
- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
-
- dep: mpqc
- Massively Parallel Quantum Chemistry Program
-
- rec: xfonts-100dpi
- 100 dpi fonts for X
- of xfonts-75dpi
- 75 dpi fonts for X
- of xfonts-100dpi-transcoded
- 100 dpi fonts for X (transcoded from ISO 10646-1)
- of xfonts-75dpi-transcoded
- 75 dpi fonts for X (transcoded from ISO 10646-1)