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Overhauled FSC code

Ariana Peck requested to merge ap/fsc into development

The FSC calculation has been overhauled, with the following changes compared to the earlier script in cmtip:

  • relevant files are organized into a separate directory called eval
  • many functions (including volume rotation and orientation conversion) have been batched
  • instead of searching for the optimal displacement between volumes, both are centered with subpixel precision prior to alignment

For a standard 3iyf dataset, the recommended run parameters follow:

python fsc.py -m reconstruction.mrc -d 3iyf_sim.h5 -p 3iyf.pdb -o output_dir --zoom 0.6

In addition to printing out the estimated resolution, the aligned reference and reconstructed volumes and an FSC plot will be saved if the -o flag is used.

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