Pakket: avogadro (1.100.0-2 en anderen)

[ Bron: 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.

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

Andere aan avogadro gerelateerde pakketten

• dep: libavogadro2-1t64 (>= 1.100.0) [niet ia64, m68k, x32]

  Molecular Graphics and Modelling System (library)

  dep: libavogadro2-1t64 (>= 1.99.0) [ia64, m68k, x32]

• dep: libc6 (>= 2.34) [niet alpha, ia64, sh4]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

  dep: libc6 (>= 2.40) [sh4]

• dep: libc6.1 (>= 2.34) [alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6.1-udeb

  dep: libc6.1 (>= 2.37) [ia64]

• dep: libgcc-s1 (>= 3.0) [amd64, arm64, i386, mips64el, ppc64, ppc64el, s390x, x32]

  GCC support bibliotheek

  dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sh4, sparc64]

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

  dep: libgcc-s1 (>= 4.2) [ia64]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support bibliotheek

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support bibliotheek

• dep: libqt5core5t64 (>= 5.15.1) [ia64, m68k, x32]

  Qt 5 core module

• dep: libqt5gui5t64 (>= 5.7.0) [ia64, m68k, x32]

  Qt 5 GUI module

  of libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5network5t64 (>= 5.0.2) [ia64, m68k, x32]

  Qt 5 network module

• dep: libqt5widgets5t64 (>= 5.6.0~beta) [ia64, m68k, x32]

  Qt 5 widgets module

• dep: libqt6core6t64 (>= 6.7.2) [niet ia64, m68k, x32]

  Qt 6 core module

• dep: libqt6gui6 (>= 6.1.2) [niet ia64, m68k, x32]

  Qt 6 GUI module

• dep: libqt6network6 (>= 6.1.2) [niet ia64, m68k, x32]

  Qt 6 network module

• dep: libqt6opengl6 (>= 6.1.2) [niet ia64, m68k, x32]

  Qt 6 OpenGL module

• dep: libqt6openglwidgets6 (>= 6.1.2) [niet ia64, m68k, x32]

  Qt 6 OpenGL widgets module

• dep: libqt6widgets6 (>= 6.1.2) [niet ia64, m68k, x32]

  Qt 6 widgets module

• dep: libstdc++6 (>= 13.1) [niet ia64, m68k, x32]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 5.2) [ia64, m68k, x32]

• dep: libunwind8 [ia64]

  library to determine the call-chain of a program - runtime

• rec: avogadro-utils

  Molecular Graphics and Modelling System (library)

• rec: molequeue

  Desktop integration of high performance computing resources

avogadro downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	1.100.0-2	962,9 kB	2.484,0 kB	[overzicht]
amd64	1.100.0-2	968,2 kB	2.384,0 kB	[overzicht]
arm64	1.100.0-2	956,4 kB	2.416,0 kB	[overzicht]
armel	1.100.0-2	953,7 kB	2.351,0 kB	[overzicht]
armhf	1.100.0-2	955,2 kB	2.287,0 kB	[overzicht]
hppa (unofficial port)	1.100.0-2	970,1 kB	2.405,0 kB	[overzicht]
i386	1.100.0-2	975,9 kB	2.375,0 kB	[overzicht]
ia64 (unofficial port)	1.99.0-1+b1	969,0 kB	2.803,0 kB	[overzicht]
m68k (unofficial port)	1.99.0-1	957,2 kB	2.400,0 kB	[overzicht]
mips64el	1.100.0-2	960,6 kB	2.499,0 kB	[overzicht]
ppc64 (unofficial port)	1.100.0-2	967,0 kB	2.480,0 kB	[overzicht]
ppc64el	1.100.0-2	967,4 kB	2.480,0 kB	[overzicht]
riscv64	1.100.0-2	964,0 kB	2.300,0 kB	[overzicht]
s390x	1.100.0-2	969,2 kB	2.408,0 kB	[overzicht]
sh4 (unofficial port)	1.100.0-2	986,9 kB	2.353,0 kB	[overzicht]
sparc64 (unofficial port)	1.100.0-2	948,5 kB	2.431,0 kB	[overzicht]
x32 (unofficial port)	1.99.0-1	954,9 kB	2.356,0 kB	[overzicht]