软件包：ghemical（3.0.0-5 以及其他的）

ghemical 的相关链接

Debian 的资源：

下载源码包 ghemical：

维护小组：

Debichem Team (QA 页面, 邮件存档)
Michael Banck (QA 页面)

外部的资源：

主页 [bioinformatics.org]

相似软件包：

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**.

标签: 领域: 化学, 实做语言: C++, 用户接口: interface::3d, interface::graphical, X 窗口系统, 角色: 程序, 应用程序集: suite::gnome, uitoolkit::gtk, Purpose: 编辑, 学习, use::viewing, works-with::3dmodel, X 窗口系统: 应用程序

其他与 ghemical 有关的软件包

依赖

推荐

建议

增强

dep: libc6 (>= 2.14) [amd64]

GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb

dep: libc6 (>= 2.17) [arm64, ppc64el]

dep: libc6 (>= 2.4) [除 amd64, arm64, ppc64el]
dep: libgcc-s1 (>= 3.0) [除 armel, armhf]

GCC 支持库

dep: libgcc-s1 (>= 3.5) [armel, armhf]
dep: libgdk-pixbuf2.0-0 (>= 2.22.0)

GDK Pixbuf library (transitional package)
dep: libghemical5v5

Molecular Modelling Library
dep: libgl1

发行方中立的 GL 调度库 -- 过时的 GL 支持
dep: libglade2-0 (>= 1:2.6.4-2~)

library to load .glade files at runtime
dep: libglib2.0-0 (>= 2.31.8)

C 例程的 GLib 软件库
dep: libglu1-mesa

Mesa OpenGL utility library (GLU)

或者 libglu1

本虚包由这些包填实： 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 标准 C++ 库，第3版
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)

下载 ghemical

下载可用于所有硬件架构的
硬件架构	版本	软件包大小	安装后大小	文件
amd64	3.0.0-5+b1	1,777.9 kB	2,780.0 kB	[文件列表]
arm64	3.0.0-5+b1	1,753.9 kB	2,727.0 kB	[文件列表]
armel	3.0.0-5+b1	1,747.4 kB	2,660.0 kB	[文件列表]
armhf	3.0.0-5+b1	1,749.1 kB	2,556.0 kB	[文件列表]
i386	3.0.0-5+b1	1,783.0 kB	2,779.0 kB	[文件列表]
mips64el	3.0.0-5+b1	1,748.5 kB	2,834.0 kB	[文件列表]
mipsel	3.0.0-5+b1	1,749.3 kB	2,794.0 kB	[文件列表]
ppc64el	3.0.0-5+b1	1,774.9 kB	2,875.0 kB	[文件列表]
s390x	3.0.0-5+b1	1,754.6 kB	2,775.0 kB	[文件列表]