Пакет: avogadro (1.97.0-1) [debports]

[ Източник:  ]

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.

Други пакети, свързани с avogadro

• dep: libavogadro2-1 (>= 1.96.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.4)

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

• dep: libgcc-s2 (>= 4.2.1)

  GCC support library

• dep: libqt5core5a (>= 5.15.1)

  Qt 5 core module

• dep: libqt5gui5 (>= 5.7.0)

  Qt 5 GUI module

  или libqt5gui5-gles (>= 5.7.0)

  Qt 5 GUI module — OpenGL ES variant

• dep: libqt5network5 (>= 5.0.2)

  Qt 5 network module

• dep: libqt5widgets5 (>= 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

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Архитектура	Големина на пакета	Големина след инсталиране	Файлове
m68k (неофициална архитектура)	1 214,1 кБ	4 724,0 кБ	[списък на файловете]