CAVEAT

Description:CAVEAT accomplishes a number of tasks to assist in the structure-based design of molecules: Maintains a database of molecules characterized by geometric relationships, searches the database for molecules that contain defined geometric relationships, transforms coordinates so molecules which match are overlayed, and groups retrieved structures on the basis of structural similarity. CAVEAT must be used in conjunction with a computer graphics system for display. The program utilizes databases in MacroModel, CSD, PDB and MolFile formats. CAVEAT is useful in the design of biologically active compounds such as enzyme inhibitors, peptide mimics, etc. CAVEAT runs on Silicon Graphics Iris and Indigo computers. Contact Accelrys

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