Comments (2)
Thank you, I am glad it worked smoothly!
You are right, we don’t set the b-factors to pLDDT in the output PDB file, you will have to do that manually using the information in the pickle file. The correct field is, as you mention, the output_pickle['plddt']
which is a NumPy array of shape num_residues
, so it should be straight forward to fill that in the PDB.
I recommend reading the relevant sections on pLDDT in the paper for how to interpret it. Also note that pLDDT is 0–100 where 100 means most confident and 0 least confident.
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Note: as of this commit (cef198e), pLDDT are in the output PDB file.
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