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Distribution |
Debian experimental |
Abteilung |
science |
Quelle |
avogadro |
Version |
0.9.0-2 |
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 (= 0.9.0-2), libboost-python1.34.1 (>= 1.34.1-8), libc6 (>= 2.7-1), libgcc1 (>= 1:4.1.1), libglew1.5 (>= 1.5.0dfsg1), libopenbabel3, libqt4-opengl (>= 4.4.3), libqtcore4 (>= 4.4.3), libqtgui4 (>= 4.4.3), libstdc++6 (>= 4.2.1), libx11-6, python-numpy, 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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