Section: New Software and Platforms

HermiteFit

A new docking algorithm for rapid fitting atomic structures into cryo-EM density maps

Functional Description: HermiteFit is a new docking algorithm for rapid fitting atomic structures into cryo-EM density maps using 3D orthogonal Hermite functions. HermiteFit uses the cross-correlation or the Laplacian-filtered cross-correlation as the fitting criterion. HermiteFit exhaustively rotates the protein density in the Hermite space and then converts the expansion coefficients into the Fourier space for the subsequent fast FFT-based correlation computations.

• Partners: IBS - FZJ Juelich

• Contact: Sergey Grudinin

• URL: https://team.inria.fr/nano-d/software/hermitefit/