Tiger Team: tt-relion
Best Practices for the Cryo-EM Software Relion
RELION (for REgularised LIkelihood OptimisatioN) is a software package for high-resolution cryo-EM structure determination. It provides several tools for different data analysis steps, which are submitted as computational jobs via a graphical user interface. Each tool requires different input variables and can be run in parallel using CPU and GPU resources. Since the software is used by multiple research groups on the bwForCluster MLS&WISO, we wanted to create a common documentation for Relion with recommendations for input parameters and resource requirements to support efficient use of the software on the cluster.
After switching to the Slurm batch system, we improved the template script and added a free input field for Slurm parameters to allow flexible resource requests. Since the graphical user interface changes from version to version, documentation for each software version was placed directly on the cluster as part of the software module and includes an FAQ block where user questions are collected. This documentation can be extended step by step and adapted to future software versions with little effort.
Members of the Tiger-Teams:
BioQuant, ZMBH and BZH, Heidelberg University; HPC Competence Center MLS&WISO