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simonduerr
commited on
Commit
•
2aa7536
1
Parent(s):
7f2c740
Update app.py
Browse files
app.py
CHANGED
@@ -309,15 +309,17 @@ def get_pdb(pdb_code="", filepath=""):
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def preprocess_mol(pdb_code="", filepath=""):
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-
print(filepath.name)
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print(pdb_code)
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if pdb_code is None or pdb_code == "":
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try:
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mol = Molecule(filepath.name)
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except AttributeError as e:
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return None
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else:
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os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb")
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mol = Molecule(f"{pdb_code}.pdb")
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mol.write("original.pdb")
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# clean messy files and only include protein itself
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def preprocess_mol(pdb_code="", filepath=""):
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print(pdb_code)
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if pdb_code is None or pdb_code == "":
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try:
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+
print(filepath.name)
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mol = Molecule(filepath.name)
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except AttributeError as e:
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return None
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else:
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os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb")
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+
print(os.getcwd())
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print(os.listdir())
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mol = Molecule(f"{pdb_code}.pdb")
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mol.write("original.pdb")
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# clean messy files and only include protein itself
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