SAMOA Version 1.0

Purpose | Components | Download

Purpose

To analyze molecular structures.

To calculate and analyze molecular electronic structure of a molecule or a molecular fragment of a crystal using the extended Hückel method.

To create 3D plots of molecular orbitals.

Module Components of SAMOA 1.0 (SAMOA 1)

Module	Description
MASC	To create, edit and analyze structural details of a molecule.
MC	To calculate MOs for molecules and perform FMO, DOS and DOP analysis.
MP	To visualize and analyze interactively the results obtained by MC.
newMI	To create input files for MC.
mascM	To create 3D plots of molecular orbitals.