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DeepACE_classification_model

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oucgc1996 commited on Apr 13

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b455269

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1 Parent(s): eb196c4

Update utils.py

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utils.py CHANGED Viewed

@@ -200,7 +200,7 @@ def parsePDB(PDBFile,keep_only_chains=None,keep_hetatm=True,bb_only=False):
 					atomNamesTMP += ["HET_"+str(resnum)+"_"+atnameHet+"_"+line[21]]
 			coords+=[torch.tensor(coordsTMP)]
 			atomNames += [atomNamesTMP]
 		return torch.torch.nn.utils.rnn.pad_sequence(coords, batch_first=True, padding_value=PADDING_INDEX), atomNames, pdbname, pdb_num

 					atomNamesTMP += ["HET_"+str(resnum)+"_"+atnameHet+"_"+line[21]]
 			coords+=[torch.tensor(coordsTMP)]
 			atomNames += [atomNamesTMP]
+        print(atomNames, pdbname, pdb_num)
 		return torch.torch.nn.utils.rnn.pad_sequence(coords, batch_first=True, padding_value=PADDING_INDEX), atomNames, pdbname, pdb_num