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

Restrict the number of solutions All possible restrictions are entered inside the generator prescription window: (Take a closer look at this picture in Molgen for OS/2 / Windows / SUN.) Selecting substructures: (Take a closer look at this picture in Molgen for OS/2 / Windows / SUN.) Macroatoms provide the most effective constraints. They are groups of atoms that have to occur in the desired isomers. If several of them are prescribed, it has to be noted that they must not overlap. Overlapping substructures are put into a goodlist. The goodlist acts as a filter after construction. Analogously isomers containing forbidden substructures may be sieved out by the badlist. After generation another module, the expander, "blows" the macroatoms up to their real size and avoids the same isomer occuring twice in the result. Further restrictions: In addition to substructures several further restrictions may be imposed on the construction process. Currently there are available: Restricting to ring-free or ring-containing isomers Prescribing the maximal and the minimal size of rings Limiting the bond degrees Next: After the generations, the results are displayed.