This proposal seeks support for a MicroVAX II and Evans and Sutherland PS300 graphics system to be located at the University City Sciene Center adjacent to the University of Pennsylvania. These instruments will provide major data processing and graphics capabilities for research projects directed by four investigators: N.R. Kallenbach, J. Leigh, S.W. Englander and B. Chance, focussing on molecular structure determination and dynamics of proteins and nucleic acids. Three areas will particularly benefit from the computer graphics facility: 1) structure determinations using high resolution 2D NMR techniques relying on distance-geometry algorithms; 2) EXAFS/XANES spectroscopy of metalloprotiens, and 3) simulation and interpretation of metal ion EPR and ESEEM spectra in enzyme substrate complexes. Together these projects place heavy emphasis on numerical data reduction, modeling and analysis. In addition the system will support software development and an EXAFS data bank made generally available through the National Biostructures Research Resource.
