Update utils.py
Browse files
utils.py
CHANGED
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@@ -200,7 +200,9 @@ def parsePDB(PDBFile,keep_only_chains=None,keep_hetatm=True,bb_only=False):
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atomNamesTMP += ["HET_"+str(resnum)+"_"+atnameHet+"_"+line[21]]
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coords+=[torch.tensor(coordsTMP)]
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atomNames += [atomNamesTMP]
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print(atomNames
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return torch.torch.nn.utils.rnn.pad_sequence(coords, batch_first=True, padding_value=PADDING_INDEX), atomNames, pdbname, pdb_num
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atomNamesTMP += ["HET_"+str(resnum)+"_"+atnameHet+"_"+line[21]]
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coords+=[torch.tensor(coordsTMP)]
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atomNames += [atomNamesTMP]
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print(atomNames)
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print(pdbname)
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print(pdb_num)
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return torch.torch.nn.utils.rnn.pad_sequence(coords, batch_first=True, padding_value=PADDING_INDEX), atomNames, pdbname, pdb_num
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