Overhauled FSC code
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.