|
Distribution |
Debian unstable |
Abteilung |
science |
Quelle |
avogadro |
Version |
1.0.1-2 |
Maintainer |
Debichem Team <debichem-devel@lists.alioth.debian.org>
|
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.
|
Abhängig von | libavogadro1 (= 1.0.1-2), libc6 (>= 2.2.5), libgcc1 (>= 1:4.1.1), libopenbabel3, libqt4-opengl (>= 4:4.5.3), libqtcore4 (>= 4:4.6.1), 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 |
|
|
|