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Commit a4f3723f authored by Akdel's avatar Akdel
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static path changed for demo

parent 43f776b7
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......@@ -117,10 +117,11 @@ def get_features(pdb_file: str, dssp_dir: str, only_dssp=True, force_overwrite=T
pdb_file = str(Path(dssp_dir) / f"{name}.pdb")
pd.writePDB(pdb_file, protein)
protein = pd.parsePDB(pdb_file)
# print(protein)
dssp_file = Path(dssp_dir) / f"{name}.dssp"
if force_overwrite or not dssp_file.exists():
dssp_file = pd.execDSSP(str(pdb_file), outputname=name, outputdir=str(dssp_dir))
protein = pd.parseDSSP(dssp=dssp_file, ag=protein, parseall=True)
protein = pd.parseDSSP(dssp=str(dssp_file), ag=protein, parseall=True)
data = get_dssp_features(protein)
if only_dssp:
return data
......
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