yinuozhang commited on
Commit
432a60b
·
1 Parent(s): 3472383
Files changed (1) hide show
  1. app.py +11 -1
app.py CHANGED
@@ -656,7 +656,7 @@ class PeptideAnalyzer:
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  ### Special Cases:
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  - **Cys-Cys:** CC (L-form) or cc (D-form)
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- ## For other mappings, please refer to the (SwissSideChain webside)[https://www.swisssidechain.ch/browse/family/table.php?family=all]
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  """
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  return uaa_info
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@@ -980,6 +980,16 @@ def process_input(
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  summary += "="*50 + "\n"
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  summary += details + "\n"
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  if structure_files:
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  summary += "\n3D Structures Generated:\n"
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  for filepath in structure_files:
 
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  ### Special Cases:
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  - **Cys-Cys:** CC (L-form) or cc (D-form)
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+ ## For other mappings, please refer to the [SwissSideChain webside](https://www.swisssidechain.ch/browse/family/table.php?family=all)
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  """
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  return uaa_info
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  summary += "="*50 + "\n"
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  summary += details + "\n"
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+ detected_uaas = [aa for aa in analysis['residues'] if aa not in [
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+ 'Ala', 'Cys', 'Asp', 'Glu', 'Phe', 'Gly', 'His', 'Ile', 'Lys', 'Leu',
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+ 'Met', 'Asn', 'Pro', 'Gln', 'Arg', 'Ser', 'Thr', 'Val', 'Trp', 'Tyr',
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+ 'ala', 'cys', 'asp', 'glu', 'phe', 'gly', 'his', 'ile', 'lys', 'leu',
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+ 'met', 'asn', 'pro', 'gln', 'arg', 'ser', 'thr', 'val', 'trp', 'tyr'
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+ ]]
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+
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+ if detected_uaas:
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+ summary += f"\nDetected UAAs: {', '.join(set(detected_uaas))}\n"
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+
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  if structure_files:
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  summary += "\n3D Structures Generated:\n"
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  for filepath in structure_files: