PowerFit web portal

PowerFit web portal performs rigid body fitting of high-resolution atomic structures into cryo-electron microscopy density maps using a full-exhaustive 6-dimensional cross-correlation search.

Key Features:

• 6D cross-correlation search: Performs a full-exhaustive 6-dimensional cross-correlation search between the atomic structure and the density.
• Reliability indicators: Outputs reliability indicators for fitting success through the use of the Fisher z-transformation and associated confidence intervals.
• GPGPU acceleration: Uses GPGPU-accelerated computing resources for performance.
• Grid resource harvesting: Harvests both local CPU resources and GPGPU-accelerated EGI grid resources.

Scientific Applications:

• Cryo-EM structure fitting: Fits high-resolution atomic structures into cryo-EM densities for structure determination of complex molecular machines.
• Integrative modeling: Combines high-resolution structures of atomic subunits with density maps from cryo-electron microscopy.

Methodology:

PowerFit performs rigid body fitting using a full-exhaustive 6-dimensional cross-correlation search between the atomic structure and the density map, with reliability assessment via Fisher z-transformation and associated confidence intervals.