Paket: avogadro (1.97.0-1)

[ Källkod: avogadro  ]

Molecular Graphics and Modelling System

Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder.

Features include:

 * Molecular modeller with automatic force-field based geometry optimization
 * Molecular Mechanics including constraints and conformer searches
 * Visualization of molecular orbitals and general isosurfaces
 * Visualization of vibrations and plotting of vibrational spectra
 * Support for crystallographic unit cells
 * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry
   packages
 * Flexible plugin architecture and Python scripting

File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output.

Märken: Field: Chemistry, User Interface: Graphical User Interface, X Window System, Role: role::program, uitoolkit::qt, Purpose: Data Visualization, X Window System: Application

Andra paket besläktade med avogadro

• dep: libavogadro2-1 (>= 1.97.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.14) [amd64]

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

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

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

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

  GCC stödbibliotek

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

• dep: libqt5core5a (>= 5.15.1)

  Qt 5 core module

• dep: libqt5gui5 (>= 5.7.0)

  Qt 5 GUI module

  eller libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5network5 (>= 5.0.2)

  Qt 5 network module

• dep: libqt5widgets5 (>= 5.6.0~beta)

  Qt 5 widgets module

• dep: libstdc++6 (>= 5.2)

  GNU standardbibliotek v3 för C++

• rec: avogadro-utils

  Molecular Graphics and Modelling System (library)

• rec: molequeue

  Desktop integration of high performance computing resources

Hämta avogadro

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Paketstorlek	Installerad storlek	Filer
amd64	1.225,5 kbyte	5.030,0 kbyte	[filförteckning]
arm64	1.214,6 kbyte	5.030,0 kbyte	[filförteckning]
armel	1.205,4 kbyte	5.029,0 kbyte	[filförteckning]
armhf	1.207,5 kbyte	4.901,0 kbyte	[filförteckning]
i386	1.235,3 kbyte	5.037,0 kbyte	[filförteckning]
mips64el	1.219,0 kbyte	5.184,0 kbyte	[filförteckning]
mipsel	1.217,6 kbyte	5.113,0 kbyte	[filförteckning]
ppc64el	1.226,2 kbyte	5.222,0 kbyte	[filförteckning]
s390x	1.212,7 kbyte	5.050,0 kbyte	[filförteckning]