bug when sites missing from PDB
Closed this issue · 0 comments
jbloom commented
I just discovered what I think is a significant bug. It is common for the site metrics to include residues that aren't in the PDB, and so have no PDB numbers. I would represent these like this:
site,label_site,wildtype,mutation,condition,protein_chain,protein_site,site_n_effective_amino_acids,site_entropy,mut_aa_frequency
1,1,M,A,test,A B C,,1.0,0.0,0.0
where you can see that the protein_site
entry is simply blank (a NaN
in pandas) since there is no site in the PDB that corresponds to that site
in the protein.
However, as desired, the site still show up in the site plot. But then if I click on that site, my expectation is that nothing should be highlighted in the PDB. But instead the entire PDB is highlighted, as if dms-view
is interpreting a missing pdb_site
to mean the entire protein rather than none of it.