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Runtime error
Runtime error
Update app.py
Browse files
app.py
CHANGED
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@@ -162,6 +162,7 @@ def prepare_input(input, jobname, baseconfig, hard_case):
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yaml_dict["covale_inputs"]=""
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for covMod in input["covMods"]:
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if len(covMod["deleteIndexes"])>0:
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new_attachment_index = convert_format(covMod["mol"],jobname, covMod["ligand"], covMod["deleteIndexes"], covMod["attachmentIndex"])
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chirality_ligand = "null"
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yaml_dict["covale_inputs"]=""
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for covMod in input["covMods"]:
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new_attachment_index = covMod["attachmentIndex"]
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if len(covMod["deleteIndexes"])>0:
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new_attachment_index = convert_format(covMod["mol"],jobname, covMod["ligand"], covMod["deleteIndexes"], covMod["attachmentIndex"])
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chirality_ligand = "null"
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