avogadro 1.0.1-3 (ia64 binary) in ubuntu maverick
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.
Details
- Package version:
- 1.0.1-3
- Status:
- Deleted
- Component:
- universe
- Priority:
- Optional
Downloadable files
- avogadro_1.0.1-3_ia64.deb (3.6 MiB)