Paketti: ghemical (3.0.0-5 ja muut)

[ 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**.

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

• dep: libc6 (>= 2.14) [amd64]

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

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

  dep: libc6 (>= 2.4) [ei amd64, arm64, ppc64el]

• dep: libgcc-s1 (>= 3.0) [ei armel, armhf]

  GCC:n apukirjasto

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

• dep: libgdk-pixbuf2.0-0 (>= 2.22.0)

  GDK Pixbuf library (transitional package)

• 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 - 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 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)

Imuroi ghemical

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Versio	Paketin koko	Koko asennettuna	Tiedostot
amd64	3.0.0-5+b1	1,777.9 kt	2,780.0 kt	[tiedostoluettelo]
arm64	3.0.0-5+b1	1,753.9 kt	2,727.0 kt	[tiedostoluettelo]
armel	3.0.0-5+b1	1,747.4 kt	2,660.0 kt	[tiedostoluettelo]
armhf	3.0.0-5+b1	1,749.1 kt	2,556.0 kt	[tiedostoluettelo]
i386	3.0.0-5+b1	1,783.0 kt	2,779.0 kt	[tiedostoluettelo]
mips64el	3.0.0-5+b1	1,748.5 kt	2,834.0 kt	[tiedostoluettelo]
mipsel	3.0.0-5+b1	1,749.3 kt	2,794.0 kt	[tiedostoluettelo]
ppc64el	3.0.0-5+b1	1,774.9 kt	2,875.0 kt	[tiedostoluettelo]
s390x	3.0.0-5+b1	1,754.6 kt	2,775.0 kt	[tiedostoluettelo]