Cobra is used to perform automated conformational analysis and generation of 3-D structures from 2-D information. The input information can be a SMILES string or a structure sketched using the Pimms (qv)--the molecular graphics interface to Oxford Molecular's specialist molecules. Cobra performs conformational analysis by joining conformational templates from its knowledge base and contains advanced artificial intelligence techniques for identifying minimum energy conformations. Cobra can also carry out combined configurational/conformational searching, and, via input of a SMILES file, can be used in conversion of 2-D databases to 3-D.
Ron George
Executive Vice President Oxford Molecular, Inc. 7005 Backlick Court Suite 200 Springfield, VA 22151 USA 703-658-4854 fax:703-658-4887