Package: ghemical (2.10-1 and others)

Links for ghemical

Debian Resources:

Download Source Package ghemical:

Maintainer:

Michael Banck (QA Page)

Similar packages:

A 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, User Interface: Three-Dimensional, Application Suite: GNOME, Interface Toolkit: GTK, Purpose: Editing, Data Visualization, Works with: 3D Model, X Window System: Application

Other Packages Related to ghemical

depends

recommends

suggests

dep: atlas3-base

Automatically Tuned Linear Algebra Software,generic shared

or lapack3

library of linear algebra routines 3 - shared version

or liblapack.so.3

virtual package provided by atlas3-2.0, atlas3-3dnow, atlas3-altivec, atlas3-base, atlas3-ev6, atlas3-sse, atlas3-sse2, atlas3-v9, lapack3
dep: atlas3-base

Automatically Tuned Linear Algebra Software,generic shared

or refblas3

Basic Linear Algebra Subroutines 3, shared library

or libblas.so.3

virtual package provided by atlas3-2.0, atlas3-3dnow, atlas3-altivec, atlas3-base, atlas3-ev6, atlas3-sse, atlas3-sse2, atlas3-v9, refblas3
dep: freeglut3

OpenGL Utility Toolkit
dep: libatk1.0-0 (>= 1.12.2)

The ATK accessibility toolkit
dep: libc6 (>= 2.3.5-1) [not alpha, i386, ia64]

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

dep: libc6 (>= 2.3.6-6) [i386]
dep: libc6.1 (>= 2.3.5-1) [alpha, ia64]

GNU C Library: Shared libraries
also a virtual package provided by libc6.1-udeb
dep: libcairo2 (>= 1.2.4)

The Cairo 2D vector graphics library
dep: libfontconfig1 (>= 2.3.0) [not hppa]

generic font configuration library - runtime

dep: libfontconfig1 (>= 2.4.0) [hppa]
dep: libfreetype6 (>= 2.2)

FreeType 2 font engine, shared library files
dep: libg2c0 (>= 1:3.4.4-5)

Runtime library for GNU Fortran 77 applications
dep: libgcc1 (>= 1:4.1.1-12) [not hppa]

GCC support library
dep: libgcc2 (>= 4.0.2) [hppa]

GCC support library
dep: libghemical0c2a

Molecular Modelling Library
dep: libgl1-mesa-glx

A free implementation of the OpenGL API -- GLX runtime

or libgl1

virtual package provided by libgl1-mesa-glide3, libgl1-mesa-glx, libgl1-mesa-swx11
dep: libglade2-0 (>= 1:2.5.1)

library to load .glade files at runtime
dep: libglib2.0-0 (>= 2.10.0) [not hppa]

The GLib library of C routines

dep: libglib2.0-0 (>= 2.12.0) [hppa]
dep: libglu1-mesa

The OpenGL utility library (GLU)

or libglu1

virtual package provided by libglu1-mesa
dep: libgtk2.0-0 (>= 2.8.0)

The GTK+ graphical user interface library
dep: libgtkglext1

OpenGL Extension to GTK (shared libraries)
dep: libice6 (>= 1:1.0.0)

X11 Inter-Client Exchange library
dep: libmopac7-0

Semi-empirical Quantum Chemistry Library
dep: libopenbabel1

Convert and manipulate chemical data files
dep: libpango1.0-0 (>= 1.12.3) [not hppa]

Layout and rendering of internationalized text

dep: libpango1.0-0 (>= 1.14.7) [hppa]
dep: libpng12-0 (>= 1.2.8rel)

PNG library - runtime
dep: libsc7

The Scientific Computing Toolkit
dep: libsm6

X11 Session Management library
dep: libstdc++6 (>= 4.1.1-12)

The GNU Standard C++ Library v3
dep: libunwind7 (>= 0.98.5-6) [ia64]

A library to determine the call-chain of a program - runtime
dep: libx11-6

X11 client-side library
dep: libxcursor1 (>> 1.1.2)

X cursor management library
dep: libxext6

X11 miscellaneous extension library
dep: libxfixes3 [not hppa]

X11 miscellaneous 'fixes' extension library

dep: libxfixes3 (>= 1:4.0.1) [hppa]
dep: libxi6

X11 Input extension library
dep: libxinerama1

X11 Xinerama extension library
dep: libxml2 (>= 2.6.26)

GNOME XML library
dep: libxmu6

X11 miscellaneous utility library
dep: libxrandr2

X11 RandR extension library
dep: libxrender1

X Rendering Extension client library
dep: libxt6

X11 toolkit intrinsics library
dep: mpqc

The Massively Parallel Quantum Chemistry Program
dep: zlib1g (>= 1:1.2.1)

compression library - runtime
also a virtual package provided by zlib1g-udeb

Download ghemical

Download for all available architectures
Architecture	Version	Package Size	Installed Size	Files
alpha	2.10-1	1,875.9 kB	3312 kB	[list of files]
amd64	2.10-1	1,849.1 kB	3132 kB	[list of files]
arm	2.10-1	1,861.9 kB	3096 kB	[list of files]
hppa	2.10-1+b1	1,877.2 kB	3128 kB	[list of files]
i386	2.10-1	1,839.2 kB	3076 kB	[list of files]
ia64	2.10-1	1,935.2 kB	3680 kB	[list of files]
mips	2.10-1	1,841.5 kB	3288 kB	[list of files]
mipsel	2.10-1	1,839.1 kB	3288 kB	[list of files]
powerpc	2.10-1	1,846.8 kB	3084 kB	[list of files]
s390	2.10-1	1,825.1 kB	3064 kB	[list of files]
sparc	2.10-1	1,829.8 kB	3044 kB	[list of files]