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b13ea5a
1
Parent(s):
706fcd8
Update app.py
Browse files
app.py
CHANGED
@@ -58,7 +58,7 @@ def update(inp, file, mode, custom_resids, clustering_threshold):
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else:
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ids = get_all_metalbinding_resids(filepath)
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-
voxels, prot_centers, prot_N, prots = processStructures(
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device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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voxels.to(device)
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print(voxels.shape)
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else:
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ids = get_all_metalbinding_resids(filepath)
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+
voxels, prot_centers, prot_N, prots = processStructures(filepath, ids)
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device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
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voxels.to(device)
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print(voxels.shape)
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