[ ソース: avogadro ]
パッケージ: avogadro (1.95.1-2)
avogadro に関するリンク
Trisquel の資源:
avogadro ソースパッケージをダウンロード:
メンテナ:
Original Maintainers:
- Debichem Team (メールアーカイブ)
- Michael Banck
外部の資源:
- ホームページ [avogadro.cc]
類似のパッケージ:
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: libavogadro2-1 (>= 1.95.1)
- 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 (>= 3.3.1)
- GCC support library
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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
- または 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