Paket: avogadro (1.99.0-1 och andra) [debports]

[ Källkod:  ]

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.

Andra paket besläktade med avogadro

• dep: libavogadro2-1t64 (>= 1.99.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6.1 (>= 2.37)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6.1-udeb

• dep: libgcc-s1 (>= 4.2)

  GCC stödbibliotek

• dep: libqt5core5t64 (>= 5.15.1)

  Qt 5 core module

• dep: libqt5gui5t64 (>= 5.7.0)

  Qt 5 GUI module

  eller libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5network5t64 (>= 5.0.2)

  Qt 5 network module

• dep: libqt5widgets5t64 (>= 5.6.0~beta)

  Qt 5 widgets module

• dep: libstdc++6 (>= 5.2)

  GNU standardbibliotek v3 för C++

• dep: libunwind8

  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

Hämta avogadro

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
ia64 (inofficiell anpassning)	1.99.0-1+b1	969,0 kbyte	2.803,0 kbyte	[filförteckning]