Пакет: avogadro (1.2.0-4 и други)

[ Източник: 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.

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

Други пакети, свързани с avogadro

• dep: libavogadro1 (= 1.2.0-4+b2)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.14)

  GNU C Library: Shared libraries
  също и виртуален пакет, предлаган от libc6-udeb

• dep: libgcc1 (>= 1:3.0)

  GCC support library

• dep: libopenbabel5

  Chemical toolbox library

• dep: libqt4-opengl (>= 4:4.5.3)

  Qt 4 OpenGL module

• dep: libqtcore4 (>= 4:4.7.0~beta1)

  Qt 4 core module

• dep: libqtgui4 (>= 4:4.6.1)

  Qt 4 GUI module

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: libx11-6

  X11 client-side library

• rec: avogadro-data

  Molecular Graphics and Modelling System (Data Files)

Изтегляне на avogadro

Изтегляне за всички налични архитектури

Архитектура	Версия	Големина на пакета	Големина след инсталиране	Файлове
amd64	1.2.0-4+b2	10 865,3 кБ	17 541,0 кБ	[списък на файловете]