eLxr packages [ bianca ]
[ ソース: avogadro ]
パッケージ: avogadro (1.100.0-2)
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.
その他の avogadro 関連パッケージ
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- dep: libavogadro2-1t64 (>= 1.100.0)
- Molecular Graphics and Modelling System (library)
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
以下のパッケージによって提供される仮想パッケージでもあります: libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC support library
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- dep: libqt6core6t64 (>= 6.7.2)
- Qt 6 core module
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- dep: libqt6gui6 (>= 6.1.2)
- Qt 6 GUI module
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- dep: libqt6network6 (>= 6.1.2)
- Qt 6 network module
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- dep: libqt6opengl6 (>= 6.1.2)
- Qt 6 OpenGL module
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- dep: libqt6openglwidgets6 (>= 6.1.2)
- Qt 6 OpenGL widgets module
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- dep: libqt6widgets6 (>= 6.1.2)
- Qt 6 widgets module
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- dep: libstdc++6 (>= 13.1)
- 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