Study Weekend Program... UP

Interactive Electron Density Map Interpretation

T. Alwyn Jones
Department of Cell and Molecular Biology, Uppsala University, BMC,
Box 596, SE- 751 24 Uppsala, Sweden

The recent developments in computer hardware have greatly benefited crystallography in general, and molecular modelling in particular. The organizers suggest that I present “a philosophical and historical overview of molecular graphics in structural biology”. I will do my best, but I will also present my most recent developments in electron density map interpretation as implemented in the program O [1]. In particular, I will concentrate on the use of secondary structure templates (SSTs) for building proteins and nucleic acid macromolecules, and how SSTs are used together with skeletonised electron densities. The latest tools allow the user to interactively guide how the main-chain trace develops. Schemes for working with high and low resolution maps will be discussed.

If time permits, I will also demonstrate some new tools for working with NCS, and a few other odds and ends.

[1] Jones, T.A., Zou, J-Y., Cowan, S.W. and Kjeldgaard, M. Acta Cryst. (1991) A47, 110-119