Analyze fits¶

Check if run correctly¶

If everything run correctly, the result_fits_chimera directory should contain the following structure (example for CR Y-complex rigid bodies):

result_fits_chimera/
    search100000_metric_cam_rad_600_inside0.3_res_40/
        CR_with_Y_no_env_relative.mrc/
            ScNup84_437-726_ScNup133C_490_1155_renamed_relative_3I4R.pdb/
                Rplots.pdf
                CR_with_Y_no_env_relative.mrc
                histogram.png
                log_err.txt
                log_out.txt
                ori_pdb.pdb
                run.sh
                solutions.csv
                solutions_pvalues.csv
            ScNup133N_56-480_renamed.pdb/
                Rplots.pdf
                CR_with_Y_no_env_relative.mrc
                histogram.png
                log_err.txt
                log_out.txt
                ori_pdb.pdb
                run.sh
                solutions.csv
                solutions_pvalues.csv

            ... and so on

If the run was successful then you can reconstruct the top fits of each input rigid body (following example for top five fits). Enter the dir result_fits_chimera/search100000_metric_cam_rad_600_inside0.3_res_40 and run the following step which will generate a dir called top5
```
genPDBs_many.py -n5 top5 */*/solutions.csv
```

Warning

The solutions_pvalues.csv files contain the fit libraries and must be present to run global optimization.

Note

The pre-calculated output has been simplified (i.e. not all files described in the above architecture have been calculated) for the purpose of this tutorial. Read more on how to analyze the fits.