[ 源代码: avogadro ]
软件包:avogadro(1.97.0-1)
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.
其他与 avogadro 有关的软件包
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- dep: libavogadro2-1 (>= 1.97.0)
- Molecular Graphics and Modelling System (library)
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- dep: libc6 (>= 2.14) [amd64]
- GNU C 语言运行库:共享库
同时作为一个虚包由这些包填实: libc6-udeb
- dep: libc6 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.4) [除 amd64, arm64, ppc64el]
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- dep: libgcc-s1 (>= 3.0) [除 armel, armhf]
- GCC 支持库
- dep: libgcc-s1 (>= 3.5) [armel, armhf]
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- dep: libqt5core5a (>= 5.15.1)
- Qt 5 核心模块
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- dep: libqt5gui5 (>= 5.7.0)
- Qt 5 GUI module
- 或者 libqt5gui5-gles (>= 5.7.0)
- Qt 5 GUI module — OpenGL ES variant
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- dep: libqt5network5 (>= 5.0.2)
- Qt 5 network module
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- dep: libqt5widgets5 (>= 5.6.0~beta)
- Qt 5 widgets 模块
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- dep: libstdc++6 (>= 5.2)
- GNU 标准 C++ 库,第3版
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- rec: avogadro-utils
- Molecular Graphics and Modelling System (library)
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- rec: molequeue
- Desktop integration of high performance computing resources
下载 avogadro
硬件架构 | 软件包大小 | 安装后大小 | 文件 |
---|---|---|---|
amd64 | 1,225.5 kB | 5,030.0 kB | [文件列表] |
arm64 | 1,214.6 kB | 5,030.0 kB | [文件列表] |
armel | 1,205.4 kB | 5,029.0 kB | [文件列表] |
armhf | 1,207.5 kB | 4,901.0 kB | [文件列表] |
i386 | 1,235.3 kB | 5,037.0 kB | [文件列表] |
mips64el | 1,219.0 kB | 5,184.0 kB | [文件列表] |
mipsel | 1,217.6 kB | 5,113.0 kB | [文件列表] |
ppc64el | 1,226.2 kB | 5,222.0 kB | [文件列表] |
s390x | 1,212.7 kB | 5,050.0 kB | [文件列表] |