Interactive fitting augmented by force-feedback and virtual reality

The synthesis of low-resolution electron microscopy data with high-resolution molecular structures has become a common routine in the modeling of biomolecular assemblies. In contrast to algorithmic "black box" solutions, the interactive "fitting by eye" takes advantage of an expert's structural or biochemical knowledge and can be used with very noisy experimental data. In the solution proposed in this paper, we support the expert user in an interactive fitting session by haptic rendering and virtual reality. The quantitative and tactile feedback facilitates and objectifies the otherwise unrestrained modeling. We introduce a highly accurate reduced representation of the gradient of the cross-correlation coefficient that sustains force updates for haptic rendering at sufficiently high refresh rates. (C) 2003 Elsevier Inc. All rights reserved.