[ 原始碼： ghemical ]
套件：ghemical（3.0.0-4）
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**.
其他與 ghemical 有關的套件
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- dep: libc6 (>= 2.4)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc1 (>= 1:3.0)
- GCC 支援函式庫
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- dep: libgdk-pixbuf2.0-0 (>= 2.22.0)
- GDK Pixbuf library
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- dep: libghemical5v5
- 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
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- dep: libglib2.0-0 (>= 2.31.8)
- GLib library of C routines
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- dep: libglu1-mesa
- Mesa OpenGL utility library (GLU)
- 或者 libglu1
- 本虛擬套件由這些套件填實： libglu1-mesa
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- dep: libgtk2.0-0 (>= 2.8.0)
- GTK+ graphical user interface library
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- dep: libgtkglext1
- OpenGL Extension to GTK+ (shared libraries)
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- dep: liboglappth2
- Oglappth Library
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- dep: libopenbabel5
- Chemical toolbox library
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- dep: libpango-1.0-0 (>= 1.14.0)
- Layout and rendering of internationalized text
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- dep: libstdc++6 (>= 5.2)
- 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
- 或者 xfonts-75dpi
- 75 dpi fonts for X
- 或者 xfonts-100dpi-transcoded
- 100 dpi fonts for X (transcoded from ISO 10646-1)
- 或者 xfonts-75dpi-transcoded
- 75 dpi fonts for X (transcoded from ISO 10646-1)