Package: avogadro

avogadro Avogadro

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Molecular Graphics and Modelling System

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
* 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.

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