BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement.

ABSTRACT: Cryo-electron microscopy (cryoEM) can visualize large macromolecular assemblies at resolutions often below 10Å and recently as good as 3.8-4.5 Å. These density maps provide important insights into the biological functioning of molecular machineries such as viruses or the ribosome, in particular if atomic-resolution crystal structures or models of individual components of the assembly can be placed into the density map. The present work introduces a novel algorithm termed BCL::EM-Fit that accurately fits atomic-detail structural models into medium resolution density maps. In an initial step, a "geometric hashing" algorithm provides a short list of likely placements. In a follow up Monte Carlo/Metropolis refinement step, the initial placements are optimized by their cross correlation coeffic

SUBMITTER: Woetzel N 

PROVIDER: S-EPMC3150432 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature