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| Distribution |
Debian stable |
| Abteilung |
science |
| Quelle |
avogadro |
| Version |
0.8.1-5 |
| Maintainer |
Debichem Team <debichem-devel@lists.alioth.debian.org>
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| Beschreibung |
Avogadro is a molecular graphics and modelling system targetted 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
* Support for crystallographic unit cells
* Input generation for the Gaussian and GAMESS quantum chemistry packages
* Flexible plugin architecture and python scripting
.
File formats Avogadro can read include PDB, XYZ, CML, CIF, Gaussian output,
GAMESS output, Gaussian cube maps and Gaussian formatted checkpoint.
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| Abhängig von | libavogadro0 (= 0.8.1-5), libboost-python1.34.1 (>= 1.34.1-8), libc6 (>= 2.7-1), libgcc1 (>= 1:4.1.1), libopenbabel3, libqt4-opengl (>= 4.4.3), libqtcore4 (>= 4.4.3), libqtgui4 (>= 4.4.3), libstdc++6 (>= 4.2.1), libx11-6, python-qt4, python2.5 (>= 2.5), libgl1 | libgl1-mesa-glx, libglu1 | libglu1-mesa |
| Offizielle Seiten |
Paket
Entwicklerinformationen
Bugs (Binärpaket)
Bugs (Quellpaket) |
| Download |
amd64 |
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