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 (>= 2.11) [hppa]

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 (>= 2.14) [amd64]

dep: libc6 (>= 2.16) [x32]

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

dep: libc6 (>= 2.32) [sh4]

dep: libc6 (>= 2.34) [armhf, riscv64]

dep: libc6 (>= 2.4) [armel, i386, m68k, mips64el, ppc64, s390x, sparc64]
dep: libc6.1 (>= 2.31) [ia64]

GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6.1-udeb

dep: libc6.1 (>= 2.4) [alpha]
dep: libgcc-s1 (>= 3.0) [amd64, arm64, i386, mips64el, ppc64, ppc64el, s390x, x32]

GCC 支持库

dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sh4, sparc64]

dep: libgcc-s1 (>= 3.5) [armel, armhf]

dep: libgcc-s1 (>= 4.2) [ia64]
dep: libgcc-s2 (>= 4.2.1) [m68k]

GCC 支持库
dep: libgcc-s4 (>= 4.1.1) [hppa]

GCC 支持库
dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)

GDK Pixbuf library
dep: libghemical5v5 (>= 3.0.0)

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) [除 armhf]

GLib library of C routines - transitional package
dep: libglib2.0-0t64 (>= 2.32.0) [armhf]

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) [除 armhf]

GTK graphical user interface library - old version
dep: libgtk2.0-0t64 (>= 2.8.0) [armhf]

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 (>= 11) [alpha, riscv64, sh4]

GNU 标准 C++ 库，第3版

dep: libstdc++6 (>= 13.1) [armhf]

dep: libstdc++6 (>= 5.2) [armel]

dep: libstdc++6 (>= 9) [除 alpha, armel, armhf, riscv64, sh4]
dep: libunwind8 [ia64]

library to determine the call-chain of a program - runtime
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
alpha （非官方移植版）	3.0.0-5+b3	1,767.2 kB	2,828.0 kB	[文件列表]
amd64	3.0.0-5+b2	1,776.8 kB	2,772.0 kB	[文件列表]
arm64	3.0.0-5+b2	1,754.5 kB	2,727.0 kB	[文件列表]
armel	3.0.0-5+b2	1,746.3 kB	2,660.0 kB	[文件列表]
armhf	3.0.0-5+b3	1,742.3 kB	2,558.0 kB	[文件列表]
hppa （非官方移植版）	3.0.0-5+b2	1,772.5 kB	2,723.0 kB	[文件列表]
i386	3.0.0-5+b2	1,783.3 kB	2,771.0 kB	[文件列表]
ia64 （非官方移植版）	3.0.0-5+b1	1,804.4 kB	3,228.0 kB	[文件列表]
m68k （非官方移植版）	3.0.0-5+b2	1,749.4 kB	2,715.0 kB	[文件列表]
mips64el	3.0.0-5+b2	1,748.1 kB	2,834.0 kB	[文件列表]
ppc64 （非官方移植版）	3.0.0-5+b2	1,776.8 kB	2,948.0 kB	[文件列表]
ppc64el	3.0.0-5+b2	1,776.3 kB	2,875.0 kB	[文件列表]
riscv64 （非官方移植版）	3.0.0-5+b3	1,766.6 kB	2,691.0 kB	[文件列表]
s390x	3.0.0-5+b2	1,754.1 kB	2,771.0 kB	[文件列表]
sh4 （非官方移植版）	3.0.0-5	1,778.1 kB	2,670.0 kB	[文件列表]
sparc64 （非官方移植版）	3.0.0-5+b2	1,749.7 kB	2,779.0 kB	[文件列表]
x32 （非官方移植版）	3.0.0-5+b2	1,765.1 kB	2,678.0 kB	[文件列表]