软件包：avogadro（1.99.0-1 以及其他的） [debports]
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: libavogadro2-1t64 (>= 1.99.0)
- Molecular Graphics and Modelling System (library)
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- dep: libc6.1 (>= 2.37)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6.1-udeb
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- dep: libgcc-s1 (>= 4.2)
- GCC 支持库
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- dep: libqt5core5t64 (>= 5.15.1)
- Qt 5 核心模块
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- dep: libqt5gui5t64 (>= 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: libqt5network5t64 (>= 5.0.2)
- Qt 5 network module
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- dep: libqt5widgets5t64 (>= 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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- dep: libunwind8
- library to determine the call-chain of a program - runtime
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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