SIFTS map uniprot resnum to PDB function fix #52
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This MR fixes the function
pdb.map_uniprot_resnum_to_pdb
.Previously it read chains with the assumption that chain A == entity A.
If chains IDs in the PDB start later in the alphabet, this caused issues (i.e. PDB ID: 1atp chain I)
Now the code reads unique chains in the SIFTs file.
And then loops through them alphabetically. so that the first chain -> A, second -> B. etc.
This is a precursor to my open issue (#51). I hope its useful.
The tests pass, but I have not fixed the existing broken test in the same file (
test_download_biomol
)