套件：avogadro（1.97.0-1） [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.
其他與 avogadro 有關的套件
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- dep: libavogadro2-1 (>= 1.96.0)
- Molecular Graphics and Modelling System (library)
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- dep: libc6 (>= 2.4)
- 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
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- dep: libgcc-s2 (>= 4.2.1)
- GCC 支援函式庫
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- dep: libqt5core5a (>= 5.15.1)
- Qt 5 core module
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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 module
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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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