Package: ghemical (3.0.0-5 and others)

Links for ghemical

Debian Resources:

Download Source Package ghemical:

Maintainers:

Debichem Team (QA Page, Mail Archive)
Michael Banck (QA Page)

External Resources:

Homepage [bioinformatics.org]

Similar packages:

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

depends

recommends

suggests

enhances

dep: libc6 (>= 2.17)

GNU C könyvtár: megosztott könyvtárak
also a virtual package provided by libc6-udeb
dep: libgcc-s1 (>= 3.0)

GCC támogató programkönyvtár
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
dep: libglu1-mesa

Mesa OpenGL utility library (GLU)

or libglu1

virtual package provided by 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

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
arm64	3.0.0-5+b2	1,754.5 kB	2,727.0 kB	[list of files]