Package: ghemical (3.0.0-5 and others)

[ Source: 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**.

Tags: Field: Chemistry, Implemented in: C++, User Interface: interface::3d, interface::graphical, X Window System, Role: Program, Application Suite: suite::gnome, uitoolkit::gtk, Purpose: Editing, Learning, use::viewing, works-with::3dmodel, X Window System: Application

Other Packages Related to ghemical

• dep: libc6 (>= 2.11) [hppa]

  GNU C Library: Shared libraries
  also a virtual package provided by 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 Library: Shared libraries
  also a virtual package provided by libc6.1-udeb

  dep: libc6.1 (>= 2.4) [alpha]

• dep: libgcc-s1 (>= 3.0) [amd64, arm64, i386, mips64el, ppc64, ppc64el, s390x, x32]

  GCC support library

  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 support library

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support library

• 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) [not armhf]

  GLib library of C routines - transitional package

• dep: libglib2.0-0t64 (>= 2.32.0) [armhf]

  GLib library of C routines

• dep: libglu1-mesa

  Mesa OpenGL utility library (GLU)

  or libglu1

  virtual package provided by libglu1-mesa

• dep: libgtk2.0-0 (>= 2.8.0) [not 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 Standard C++ Library v3

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

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

  dep: libstdc++6 (>= 9) [not 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

  or xfonts-75dpi

  75 dpi fonts for X

  or xfonts-100dpi-transcoded

  100 dpi fonts for X (transcoded from ISO 10646-1)

  or xfonts-75dpi-transcoded

  75 dpi fonts for X (transcoded from ISO 10646-1)

Download ghemical

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	3.0.0-5+b3	1,767.2 kB	2,828.0 kB	[list of files]
amd64	3.0.0-5+b2	1,776.8 kB	2,772.0 kB	[list of files]
arm64	3.0.0-5+b2	1,754.5 kB	2,727.0 kB	[list of files]
armel	3.0.0-5+b2	1,746.3 kB	2,660.0 kB	[list of files]
armhf	3.0.0-5+b3	1,742.3 kB	2,558.0 kB	[list of files]
hppa (unofficial port)	3.0.0-5+b2	1,772.5 kB	2,723.0 kB	[list of files]
i386	3.0.0-5+b2	1,783.3 kB	2,771.0 kB	[list of files]
ia64 (unofficial port)	3.0.0-5+b1	1,804.4 kB	3,228.0 kB	[list of files]
m68k (unofficial port)	3.0.0-5+b2	1,749.4 kB	2,715.0 kB	[list of files]
mips64el	3.0.0-5+b2	1,748.1 kB	2,834.0 kB	[list of files]
ppc64 (unofficial port)	3.0.0-5+b2	1,776.8 kB	2,948.0 kB	[list of files]
ppc64el	3.0.0-5+b2	1,776.3 kB	2,875.0 kB	[list of files]
riscv64 (unofficial port)	3.0.0-5+b3	1,766.6 kB	2,691.0 kB	[list of files]
s390x	3.0.0-5+b2	1,754.1 kB	2,771.0 kB	[list of files]
sh4 (unofficial port)	3.0.0-5	1,778.1 kB	2,670.0 kB	[list of files]
sparc64 (unofficial port)	3.0.0-5+b2	1,749.7 kB	2,779.0 kB	[list of files]
x32 (unofficial port)	3.0.0-5+b2	1,765.1 kB	2,678.0 kB	[list of files]