|
Molecular SignatureTM charts help you compare the conformational preferences of molecules Conformer takes advantage of your eyes' ability to recognize patterns and compare objects by creating charts. A "Molecular SignatureTM" visually displays the conformational preferences of the torsional angles that were rotated during the conformational search. Because a Molecular Signature incorporates the contributions of all low energy conformations, it is a highly effective tool for visualizing the properties of the conformational ensemble. Molecular Signatures are an especially effective way to identify qualitative differences and similarities in the conformational preferences of related molecules. To promote such comparisons, Conformer encourages you to view molecules that share a common substructure, or core, as a set. Then the Molecular Signatures displayed show only the torsional angles that are in the core. Viewing such molecular signature allows you to rapidly compare the conformational properties of the core, in different molecules. At the same time you are not limited to viewing just the core. You can see a molecule's entire Molecular Signature whenever you choose to do so. Conformer helps you with the most important part of a conformational search, making use of the results in your work. |