Abstract

Cryogenic electron microscopy (Cryo-EM) is a method applied to samples embedded in vitreous water and cooled to cryogenic temperatures and has been in development for the past fifty years. Recently, thanks to technological advancements, we can reach a near-atomic resolution of biological molecules. Recent progress in methodology has created an entirely new set of challenges to overcome - among them, the specific environment of the HPC system and coordination and automation of the initial stages. Our solution is an automated Cryo-EM image pre-processing service tailored to an HPC environment with close to real-time feedback allowing the researchers to interact with the data acquisition session located in a facility remote to the HPC cluster. We automated the data transfer, created a service around the Pegasus Workflow Management System, kept the user interaction minimum, and offered the …

Date

November 13, 2022

Authors

Tomasz Osinski, Mats Rynge, James K Hong, Karan Vahi, Ruilin Chu, Cesar Sul, Ewa Deelman, Byoung-Do Kim

Conference

2022 IEEE/ACM Workshop on Workflows in Support of Large-Scale Science (WORKS)

Pages

60-67

Publisher

IEEE