套件：avogadro（1.99.0-1 以及其他的）

[ 原始碼： 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.

標籤: 領域: 化學, 使用者介面: Graphical User Interface, X 視窗系統, 角色: role::program, uitoolkit::qt, Purpose: Data Visualization, X 視窗系統: 應用程式

其他與 avogadro 有關的套件

• dep: libavogadro2-1t64 (>= 1.99.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.34)

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

• dep: libgcc-s1 (>= 3.0) [除 armel, armhf, riscv64]

  GCC 支援函式庫

  dep: libgcc-s1 (>= 3.4) [riscv64]

  dep: libgcc-s1 (>= 3.5) [armel, armhf]

• dep: libqt5core5t64 (>= 5.15.1)

  Qt 5 core module

• dep: libqt5gui5t64 (>= 5.7.0)

  Qt 5 GUI module

  或者 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

下載 avogadro

下載可用於所有硬體架構的

硬體架構	版本	套件大小	安裝後大小	檔案
amd64	1.99.0-1+b1	953。4 kB	2，390。0 kB	[檔案列表]
arm64	1.99.0-1+b2	942。5 kB	2，458。0 kB	[檔案列表]
armel	1.99.0-1+b1	933。9 kB	2，337。0 kB	[檔案列表]
armhf	1.99.0-1+b1	935。1 kB	2，245。0 kB	[檔案列表]
i386	1.99.0-1+b1	965。2 kB	2，393。0 kB	[檔案列表]
mips64el	1.99.0-1+b1	942。4 kB	2，550。0 kB	[檔案列表]
ppc64el	1.99.0-1+b1	952。6 kB	2，522。0 kB	[檔案列表]
riscv64	1.99.0-1+b1	948。5 kB	2，294。0 kB	[檔案列表]
s390x	1.99.0-1+b1	947。5 kB	2，406。0 kB	[檔案列表]