Paketti: ghemical (3.0.0-4)

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Kotisivu [bioinformatics.org]

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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**.

Tagit: 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

Muut pakettiin ghemical liittyvät paketit

depends

recommends

suggests

enhances

dep: libc6 (>= 2.4)

GNU-C-kirjasto: jaetut kirjastot
myös näennäispaketti, jonka toteuttaa libc6-udeb
dep: libgcc1 (>= 1:3.5)

GCC:n apukirjasto
dep: libgdk-pixbuf2.0-0 (>= 2.22.0)

GDK Pixbuf library
dep: libghemical5v5

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)

tai libglu1

näennäispaketti, jonka toteuttaa libglu1-mesa
dep: libgtk2.0-0 (>= 2.8.0)

GTK+ graphical user interface library
dep: libgtkglext1

OpenGL Extension to GTK+ (shared libraries)
dep: liboglappth2

Oglappth Library
dep: libopenbabel5

Chemical toolbox library
dep: libpango-1.0-0 (>= 1.14.0)

Layout and rendering of internationalized text
dep: libstdc++6 (>= 5.2)

GNU standardi C++ -kirjasto, versio 3
dep: mpqc

Massively Parallel Quantum Chemistry Program

rec: xfonts-100dpi

100 dpi fonts for X

tai xfonts-75dpi

75 dpi fonts for X

tai xfonts-100dpi-transcoded

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

tai xfonts-75dpi-transcoded

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

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