This SGER award is for the preparation of the molecular mechanics program DUPLEX for release to the academic community of scientists. The program computes energy minimized structures of DNA, and of DNA covalently modified by foreign substances. It has several unique features that distinquish it from other state-of-the-art molecular mechanics. These features make it particularly valuable to scientists from various disciplines who wish to generate atomic resolution views of such DNAs. Urgent requests for the code have had to be deferred because the program is not ready for use by workers who cannot code in FORTRAN for a Cray Supercomputer. DUPLEX, fully documented and automated to operate without requirement for any FORTRAN coding will distributed via a suitable mechanism such as the Quantum Chemists' Program Exchange.//
