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Related MoleculeTM functionality enables you to see how modifying a molecule affects the unchanged part. Chemists often work with a set of molecules that share a common substructure, or "core." Conformer will combine information about molecules that have the same core into a single table. This Related Molecules table shows you, molecule by molecule, the percentage occurrence and effective conformational energy of each conformation of the core. (Core conformations are regional conformations where the core is the region of interest.) A glance at this table is all you need in order to see how the conformational properties of the core vary as you change the groups attached to it. Creating a Related MoleculesTM table would be time consuming and tedious. The more molecules you are working with, and the more limited your time, the more you need Conformer. You can use Regional Conformations with sets of related molecules With Conformer you can work with a set of related molecules and still focus your attention on only a part of the core. Conformer does this by allowing you to select the region of the core you are interested in. This region is temporarily treated as if were the entire core and the information displayed in the Related MoleculesTM table reflects this temporary redefinition. This allows you to focus your attention on the parts of the core that may be especially important to the properties of the molecules you are studying. |