Wednesday, March 21, 2012
9:30 PM

Molecular Graphics and Modelling System - Avogadro

Avogadro is a molecular graphics and modelling system targeted at molecules and bio-molecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder.

Avogadro 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 plug-in architecture and Python scripting

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