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 ... |