High performance computing in structural determination by electron cryomicroscopy.
Computational advances have significantly contributed to the current role of electron cryomicroscopy (cryoEM) in structural biology. The needs for computational power are constantly growing with the increasing complexity of algorithms and the amount of data needed to push the resolution limits. High performance computing (HPC) is becoming paramount in cryoEM to cope with those computational needs. Since the nineties, different HPC strategies have been proposed for some specific problems in cryoEM and, in fact, some of them are already available in common software packages. Nevertheless, the literature is scattered in the areas of computer science and structural biology. In this communication, the HPC approaches devised for the computation-intensive tasks in cryoEM (single particles and tomography) are retrospectively reviewed and the future trends are discussed. Moreover, the HPC capabilities available in the most common cryoEM packages are surveyed, as an evidence of the importance of HPC in addressing the future challenges.
Fernández
J J
JJ
Department of Computer Architecture, University of Almeria, Almeria 04120, Spain. jjfdez@ual.es
D003201:Computers; D003205:Computing Methodologies; D020285:Cryoelectron Microscopy / Q000379:methods* / Q000639:trends; D012984:Software