Fast-HInt-ppi 0.1.6__tar.gz → 0.1.7__tar.gz

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Files changed (32) hide show
  1. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/Scoring_HInt.py +11 -4
  2. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/PKG-INFO +1 -1
  3. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/PKG-INFO +1 -1
  4. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/setup.py +1 -1
  5. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/Fast_HInt.py +0 -0
  6. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/File_proteins.py +0 -0
  7. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/Utils_HInt.py +0 -0
  8. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/__init__.py +0 -0
  9. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/get_good_inter_pae.py +0 -0
  10. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/__init__.py +0 -0
  11. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/calculate_mpdockq.py +0 -0
  12. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/clean_pdb.py +0 -0
  13. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/interface_assess.py +0 -0
  14. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/pi_score_utils.py +0 -0
  15. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/pisa_utils.py +0 -0
  16. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/run_piscore_wc.py +0 -0
  17. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/sc_utils.py +0 -0
  18. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/__init__.py +0 -0
  19. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/finalized_model_A.sav +0 -0
  20. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/finalized_model_B.sav +0 -0
  21. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/finalized_model_wc.sav +0 -0
  22. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/scaler_model_A.sav +0 -0
  23. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/scaler_model_B.sav +0 -0
  24. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/script_pi_score/svm_model/scaler_model_wc.sav +0 -0
  25. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/SOURCES.txt +0 -0
  26. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/dependency_links.txt +0 -0
  27. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/entry_points.txt +0 -0
  28. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/requires.txt +0 -0
  29. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/top_level.txt +0 -0
  30. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/MANIFEST.in +0 -0
  31. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/README.md +0 -0
  32. {fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/setup.cfg +0 -0
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt/Scoring_HInt.py RENAMED
@@ -86,10 +86,7 @@ def Score_interaction (file, Informations_dict, CPU, Interaction, job="", multi_
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  subprocess.run([tool, "create", "-y", "-n", "pi_score","python=2.7", "scikit-learn=0.20.4", "biopython", "biopandas"], check=True)
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- if bait == "" and job != "" :
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- bait = job.replace(job.split(";")[-1],"").strip(";")
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- possible_prey = [job.split(";")[-1].strip("\n")]
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- if bait != "" : #setup bait name
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+ if bait != "" and job == "" : #setup bait name
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  bait_name = bait.replace(";","_and_")
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  for prot in bait.split(";") :
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  if regions[prot] != "0-0" :
@@ -98,6 +95,16 @@ def Score_interaction (file, Informations_dict, CPU, Interaction, job="", multi_
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  bait_name = bait_name.replace(prot,f"{prot}_{start}-{end}")
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  possible_prey = file.get_possible_prey()
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+ if job != "" :
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+ bait = job.replace(job.split(";")[-1],"").strip(";")
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+ bait_name = bait.replace(";","_and_")
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+ possible_prey = [job.split(";")[-1].strip("\n")]
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+ for prot in bait.split(";") :
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+ if regions[prot] != "0-0" :
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+ start = int(regions[prot].split("-")[0])
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+ end = int(regions[prot].split("-")[1])
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+ bait_name = bait_name.replace(prot,f"{prot}_{start}-{end}")
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+
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  #Multiprocessing to score all interactions
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  if os.path.isdir(f"./result_{Interaction}") == True :
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  if Interaction == "homo_int" : #for homo-oligomer
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/Fast_HInt_ppi.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: Fast_HInt-ppi
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- Version: 0.1.6
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+ Version: 0.1.7
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  Summary: A tool to find homologous interactions and speed up AlphaFold-based structural modeling.
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  Home-page: https://github.com/Qrouger/HInt
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  Author: Quentin Rouger
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: Fast_HInt-ppi
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- Version: 0.1.6
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+ Version: 0.1.7
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  Summary: A tool to find homologous interactions and speed up AlphaFold-based structural modeling.
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  Home-page: https://github.com/Qrouger/HInt
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  Author: Quentin Rouger
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/setup.py RENAMED
@@ -4,7 +4,7 @@ from setuptools import setup
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  setup(
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  name='Fast_HInt-ppi',
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- version='0.1.6',
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+ version='0.1.7',
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  description=(
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  'A tool to find homologous interactions and speed up AlphaFold-based structural modeling.'
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  ),
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/MANIFEST.in RENAMED
File without changes
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/README.md RENAMED
File without changes
{fast_hint_ppi-0.1.6 → fast_hint_ppi-0.1.7}/setup.cfg RENAMED
File without changes