StrukEd is not only an editor for molecules that allows the input of chemical structures in a very comfortable way. Additionally, StrukEd can import the results of a variety of quantum-chemical methods and can visualize these results at a sophisticated level.
The Input of Molecules is supported by extensive fragment and functional groups libraries; these can easily be changed and extended on user’s demand. StrukEd checks the created structures in terms of their chemical plausibility, thus providing help for the user in order to avoid errors.
The program generates a 3D model starting from the valence bond input. According to its quality, this model can be used to visualize bond lengths, angles and torsion angles of the three-dimensional structure as well as an input for other optimization programs.
Jörg Dettmann ,QCsoft
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