You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I was debugging an issue where FLIPPER was not outputting the correct LIP scores on the 1jsu complex which has results in the README. It turns out unless I name my pdb as <3-letters><4-letter-pdb-id>.<anything>.gz the code does not work. I had my file just name 1jsu.pdb.gz. Specifically, the keys in the flipper.dssp_dict do not match the expected keys which causes the secondary structure to count in LipsFinder.extract_features to incorrectly count the helixes, sheets etc. I'm sure there's other places this breaks since the final LIP score was also broken. I just fixed it by changing the name.
It would be nice to either document this requirement or update code like: pdb_id = os.path.basename(pdb_file_gz)[3:7] to be more generic.
Thanks
The text was updated successfully, but these errors were encountered:
I was debugging an issue where FLIPPER was not outputting the correct LIP scores on the 1jsu complex which has results in the README. It turns out unless I name my pdb as
<3-letters><4-letter-pdb-id>.<anything>.gz
the code does not work. I had my file just name1jsu.pdb.gz
. Specifically, the keys in the flipper.dssp_dict do not match the expected keys which causes the secondary structure to count inLipsFinder.extract_features
to incorrectly count the helixes, sheets etc. I'm sure there's other places this breaks since the final LIP score was also broken. I just fixed it by changing the name.It would be nice to either document this requirement or update code like:
pdb_id = os.path.basename(pdb_file_gz)[3:7]
to be more generic.Thanks
The text was updated successfully, but these errors were encountered: