simonduerr commited on
Commit
4bdc439
1 Parent(s): 915c8d3

Update app.py

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Files changed (1) hide show
  1. app.py +1 -0
app.py CHANGED
@@ -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"