| Paketname | avogadro |
| Beschreibung | Molecular Graphics and Modelling System |
| Archiv/Repository | Offizielles Debian Archiv squeeze (main) |
| Version | 1.0.1-3+b1 |
| Sektion | science |
| Priorität | optional |
| Installierte Größe | 6792 Byte |
| Hängt ab von | libavogadro1 (= 1.0.1-3+b1), libc6 (>= 2.3.6-6~), libgcc1 (>= 1:4.1.1), libgl1-mesa-glx | libgl1, li |
| Empfohlene Pakete | avogadro-data (>= 1.0.0-2) |
| Paketbetreuer | Debichem Team |
| Quelle | avogadro (1.0.1-3) |
| Paketgröße | 3877626 Byte |
| Prüfsumme MD5 | 787c13fc3c5cfe052fab77b3b9b815cb |
| Prüfsumme SHA1 | 6c07a3958358261daecd832064690847ee4705c0 |
| Prüfsumme SHA256 | e911fa2949c55cd34890a256ba213a7ca1490e2ecb6fc7430243d80a21320086 |
| Link zum Herunterladen | avogadro_1.0.1-3+b1_i386.deb |
| Ausführliche 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.
|