Пакет: avogadro (1.99.0-1 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: libavogadro2-1t64 (>= 1.99.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.34)

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

• dep: libgcc-s1 (>= 3.0)

  GCC support library

• dep: libqt5core5t64 (>= 5.15.1)

  Qt 5 core module

• dep: libqt5gui5t64 (>= 5.7.0)

  Qt 5 GUI module

  или 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 Standard C++ Library v3

• rec: avogadro-utils

  Molecular Graphics and Modelling System (library)

• rec: molequeue

  Desktop integration of high performance computing resources

Изтегляне на avogadro

Изтегляне за всички налични архитектури

Архитектура	Версия	Големина на пакета	Големина след инсталиране	Файлове
arm64	1.99.0-1+b2	942,5 кБ	2 458,0 кБ	[списък на файловете]