Entwicklerinformationen
|
| 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
* 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. |
| avogadro-data | Molecular Graphics and Modelling System (Data Files) | 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.
.
This package contains data files like molecular builder fragments or
OpenGL shaders. |
| libavogadro-dev | Molecular Graphics and Modelling System (development files) | Mehr ... |
Avogadro is a molecular graphics and modelling system targetted at small
to medium molecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
.
This package provides the development and header files. |
| libavogadro0 | Molecular Graphics and Modelling System (library) | Mehr ... |
Avogadro is a molecular graphics and modelling system targetted at small
to medium molecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
.
This package provides the shared library. |
| libavogadro1 | Molecular Graphics and Modelling System (library) | Mehr ... |
Avogadro is a molecular graphics and modelling system targetted at small
to medium molecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
.
This package provides the shared library. |
| python-avogadro | Molecular Graphics and Modelling System (Python module) | Mehr ... |
Avogadro is a molecular graphics and modelling system targetted at small
to medium molecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
.
This package provides the Python module. |
