套件：ghemical（3.0.0-5 以及其他的）

[ 原始碼： ghemical  ]

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**.

標籤: 領域: 化學, 實做語言: C++, 使用者介面: interface::3d, interface::graphical, X 視窗系統, 角色: 程式, 應用程式集: suite::gnome, uitoolkit::gtk, Purpose: 編輯, 學習, use::viewing, works-with::3dmodel, X 視窗系統: 應用程式

其他與 ghemical 有關的套件

• 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

• dep: libgcc-s1 (>= 3.0)

  GCC 支援函式庫

• dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)

  GDK Pixbuf library

• dep: libghemical5v5 (>= 3.0.0)

  Molecular Modelling Library

• dep: 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 - transitional package

• 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

• 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

• dep: libstdc++6 (>= 9)

  GNU Standard C++ Library v3

• dep: mpqc

  Massively Parallel Quantum Chemistry Program

• 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)

下載 ghemical

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
s390x	3.0.0-5+b2	1，754。1 kB	2，771。0 kB	[檔案列表]