Overview Distribution Prices FREE Demo version! Summary of system details Molecular formula Restrictions Display of results MOLecule EDitor 3D-Views Stereoisomer generator What's new November 5, 1996 T. Wieland

The stereoisomer generator MOLGEN is not only capable of producing constitutional isomers; even the calculation of all configurational isomers is provided - of course - complete and redundancy-free. Many effects are considered: Asymmetrical tetravalent atoms, even in rings cis/trans-isomerism at double bonds Spirans Chiral and diastereomer allenes Geometrical construction of the stereoisomers For the generation of the stereoisomers a mathematical (group-theoretic) algorithm is used basing on the connectivity of the molecule. For the display of isomers via MOLVIEW, spatial realizations are computed out of a reference placement using geometrical transformations. Since this cannot always be calculated in an exact and easy way, the user may afterwards run the energy optimizer again. Furthermore the stereocenters can be displayed together with their R/S- or cis/trans-descriptors, respectively. The constructed isomers may be saved for later use. Next: See also the new features in MOLGEN.