Pakket: avogadro (1.99.0-1 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 (>= 1.99.0)

  Molecular Graphics and Modelling System (library)

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

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

  dep: libc6 (>= 2.37) [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: libqt5concurrent5t64 (>= 5.0.2) [sparc64]

  Qt 5 concurrent module

• dep: libqt5core5a (>= 5.15.1) [alpha]

  Qt 5 core module

• dep: libqt5core5t64 (>= 5.15.1) [niet alpha]

  Qt 5 core module

• dep: libqt5gui5 (>= 5.7.0) [alpha]

  Qt 5 GUI module

  of libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5gui5t64 (>= 5.7.0) [niet alpha]

  Qt 5 GUI module

  of libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5network5 (>= 5.0.2) [alpha]

  Qt 5 network module

• dep: libqt5network5t64 (>= 5.0.2) [niet alpha]

  Qt 5 network module

• dep: libqt5widgets5 (>= 5.6.0~beta) [alpha]

  Qt 5 widgets module

• dep: libqt5widgets5t64 (>= 5.6.0~beta) [niet alpha]

  Qt 5 widgets module

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• 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)	1.99.0-1+b1	946,6 kB	2.527,0 kB	[overzicht]
amd64	1.99.0-1+b1	953,4 kB	2.390,0 kB	[overzicht]
arm64	1.99.0-1+b2	942,5 kB	2.458,0 kB	[overzicht]
armel	1.99.0-1+b1	933,9 kB	2.337,0 kB	[overzicht]
armhf	1.99.0-1+b1	935,1 kB	2.245,0 kB	[overzicht]
hppa (unofficial port)	1.99.0-1+b1	955,1 kB	2.442,0 kB	[overzicht]
i386	1.99.0-1+b1	965,2 kB	2.393,0 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	1.99.0-1+b1	942,4 kB	2.550,0 kB	[overzicht]
ppc64 (unofficial port)	1.99.0-1+b1	952,8 kB	2.586,0 kB	[overzicht]
ppc64el	1.99.0-1+b1	952,6 kB	2.522,0 kB	[overzicht]
riscv64	1.99.0-1+b1	948,5 kB	2.294,0 kB	[overzicht]
s390x	1.99.0-1+b1	947,5 kB	2.406,0 kB	[overzicht]
sh4 (unofficial port)	1.99.0-1+b1	975,3 kB	2.396,0 kB	[overzicht]
sparc64 (unofficial port)	1.99.0-1+b1	928,0 kB	3.372,0 kB	[overzicht]
x32 (unofficial port)	1.99.0-1	954,9 kB	2.356,0 kB	[overzicht]