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ThorbenFroehlking
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Commit
·
805e870
1
Parent(s):
160210a
Update
Browse files- .ipynb_checkpoints/app-checkpoint.py +1 -1
- app.py +1 -1
.ipynb_checkpoints/app-checkpoint.py
CHANGED
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@@ -127,7 +127,7 @@ def create_chain_specific_pdb(input_pdb: str, chain_id: str, residue_scores: lis
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def accept_atom(self, atom):
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if atom.parent.id[1] in self.scores_dict:
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| 130 |
-
atom.bfactor = self.scores_dict[atom.parent.id[1]] * 100
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return True
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# Prepare output PDB with selected chain and residues, modified B-factors
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def accept_atom(self, atom):
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if atom.parent.id[1] in self.scores_dict:
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atom.bfactor = np.absolute(1-self.scores_dict[atom.parent.id[1]]) * 100
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return True
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# Prepare output PDB with selected chain and residues, modified B-factors
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app.py
CHANGED
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@@ -127,7 +127,7 @@ def create_chain_specific_pdb(input_pdb: str, chain_id: str, residue_scores: lis
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| 127 |
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| 128 |
def accept_atom(self, atom):
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| 129 |
if atom.parent.id[1] in self.scores_dict:
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| 130 |
-
atom.bfactor = self.scores_dict[atom.parent.id[1]] * 100
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return True
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# Prepare output PDB with selected chain and residues, modified B-factors
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| 127 |
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| 128 |
def accept_atom(self, atom):
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| 129 |
if atom.parent.id[1] in self.scores_dict:
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| 130 |
+
atom.bfactor = np.absolute(1-self.scores_dict[atom.parent.id[1]]) * 100
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| 131 |
return True
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| 132 |
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| 133 |
# Prepare output PDB with selected chain and residues, modified B-factors
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