| Paketname | avogadro |
| Beschreibung | Molecular Graphics and Modelling System |
| Archiv/Repository | Offizielles Ubuntu Archiv lucid (universe) |
| Version | 1.0.0-2ubuntu3 |
| Sektion | universe/science |
| Priorität | optional |
| Installierte Größe | 6068 Byte |
| Hängt ab von | libavogadro1 (= 1.0.0-2ubuntu3), libc6 (>= 2.4), libgcc1 (>= 1:4.1.1), libgl1-mesa-glx | libgl1, lib |
| Empfohlene Pakete | avogadro-data (>= 1.0.0-2) |
| Paketbetreuer | Ubuntu MOTU Developers |
| Quelle | |
| Paketgröße | 3527844 Byte |
| Prüfsumme MD5 | 072a6a80db6043d9776bd2e7f7b5f3e7 |
| Prüfsumme SHA1 | 866ca48826daaaef2bbbef11ac28b9643cb60872 |
| Prüfsumme SHA256 | f5e60d885982afb8a134e4e5f2004531ff3fcf8480024291ef30b3072e622cea |
| Link zum Herunterladen | avogadro_1.0.0-2ubuntu3_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.
|