| avogadro | Molecular Graphics and Modelling System | Mehr ... |
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. |
| libavogadro-dev | Molecular Graphics and Modelling System (development files) | Mehr ... |
| libavogadro0 | Molecular Graphics and Modelling System (library) | Mehr ... |
