sukritsingh / cardsreader Goto Github PK

Hi-

I am not getting nan correlation results from target_site_MI.py. Example output below..

...
Computing for Residue 19.0
Obtained all values for Residue
Computing for Residue 20.0
Obtained all values for Residue
Computing for Residue 21.0
Obtained all values for Residue
Computing for Residue 22.0
Obtained all values for Residue

but the plot that is made is empty.

Since print(corrAmount) returns,
[[nan nan]
[nan nan]
[nan nan]
...
[nan nan]
[nan nan]
[nan nan]
[nan nan]]

I think the issue is at the step:

    corrAmount = ca.compute_dihedral_based_MI_to_resiSet_error(data, resiSet, allResis, pdbFile, 3.0)

because 'ca.compute_dihedral_based_MI_to_resiSet_error(data, resiSet, allResis, pdbFile, 3.0)' requires these steps in corrAnalysis.py

    setA_indices = get_resi_indices(setAResis, allResis)
    resiSet_indices = get_resi_indices(resiSet, allResis)

but, the get_resi_indices function is not defined anywhere in the enspara or cards files on Github. Does that seem correct to you? Where can I find the get_resi_indices function?

Cheers,
Jason

Dear enspara Team,

Is there a fast and efficient way to produce the holistic cross-correlation matrix? I did ti by running target_site_MI for every single residue, but it takes a long time for a large protein.

Thank you very much in advance. # #