Purpose: Divide a dataset collected using Leginon into optics groups according to image shift.
Supports Relion 3/3.1/4 and Cryosparc 3/4.
Requires the following packages: numpy, scipy, scikit-learn, tkinter, matplotlib For cryosparc export, requires pandas, dataset.py library from cryoSPARC.
Easiest install: Install eman2 2.91. Copy the dataset.py library from the cryosparc directory to the python site packages directory of the eman2 installation. [e.g. /usr/local/eman2-sphire-sparx/lib/python3.7/site-packages/]
Input required: CTF star file with tiltgroups (downloaded from Leginon website) For cryoSPARC, requires particles.cs and passthrough_particles.cs files from the refinement job.
Outputs star file in Relion 3.0 or 3.1/4 format, or cryosparc .cs file For cryosparc usage, replace the particles.cs or passthrough_particles.cs file with the output .cs file in the refinement directory.
Reference to cite:
Cheng A, Negro C, Bruhn JF, Rice WJ, Dallakyan S, Eng ET, Waterman DG, Potter CS, Carragher B. Leginon: New features and applications. Protein Sci. 2021 Jan;30(1):136-150. doi: 10.1002/pro.3967. Epub 2020 Nov 3. PMID: 33030237; PMCID: PMC7737759.