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| Distribution |
Debian testing |
| Abteilung |
science |
| Quelle |
avogadro |
| Version |
1.0.0-3 |
| 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
* 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.
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| Abhängig von | libavogadro1 (= 1.0.0-3), libc6 (>= 2.2.5), libgcc1 (>= 1:4.1.1), libopenbabel3, libqt4-opengl (>= 4:4.5.3), libqtcore4 (>= 4:4.5.3), libqtgui4 (>= 4:4.5.3), libstdc++6 (>= 4.4.0), libx11-6 (>= 0), libgl1 | libgl1-mesa-glx | | Recommends | avogadro-data (>= 1.0.0-2) |
| Offizielle Seiten |
Paket
Entwicklerinformationen
Bugs (Binärpaket)
Bugs (Quellpaket) |
| Download |
amd64 |
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