Pakket: ghemical (3.0.0-5 en anderen) [debports]
Verwijzigingen voor ghemical
Debian bronnen:
Het bronpakket downloaden:
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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 (>= 2.34)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
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- dep: libgcc-s1 (>= 3.4)
- GCC support bibliotheek
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- dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)
- GDK Pixbuf library
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- dep: libghemical5v5 (>= 3.0.0)
- Molecular Modelling Library
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- dep: libgl1
- Vendor neutral GL dispatch library -- legacy GL support
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- 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 - transitional package
-
- 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 - old version
-
- dep: libgtkglext1
- OpenGL Extension to GTK+ (shared libraries)
-
- dep: liboglappth2
- Oglappth Library
-
- dep: libopenbabel7 (>= 3.1.1+dfsg)
- Chemical toolbox library
-
- dep: libpango-1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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- dep: mpqc
- Massively Parallel Quantum Chemistry Program
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- 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)