Welcome to Fragment-hit-follow-chemistry’s documentation!

Contents:

• fragment_elaboration_scripts package
  • fragment_elaboration_scripts.enamine_catalog_download module
  • fragment_elaboration_scripts.enamine_store module
    • CLI Usage
    • Installation
    • StoreCatalog
      • StoreCatalog.BB
      • StoreCatalog.EBC
      • StoreCatalog.MADE
      • StoreCatalog.REALDB
      • StoreCatalog.SCR
    • StoreCurrency
      • StoreCurrency.EUR
      • StoreCurrency.USD
    • StoreSSTypes
      • StoreSSTypes.EXACT
      • StoreSSTypes.SIM
      • StoreSSTypes.SUB
    • StoreTypes
      • StoreTypes.CAS
      • StoreTypes.ID
      • StoreTypes.MFCD
      • StoreTypes.SMARTS
    • get_price()
    • main()
    • search()
  • fragment_elaboration_scripts.fauxalysis module
    • make_fauxalysis()
  • fragment_elaboration_scripts.fragalysis_download module
    • QuickDownloader
      • QuickDownloader.__init__()
      • QuickDownloader.api_data
      • QuickDownloader.fragalysis_api_url
      • QuickDownloader.reference_pdbblock
      • QuickDownloader.retrieve_target_data()
      • QuickDownloader.retrieve_target_names()
      • QuickDownloader.to_pandas()
      • QuickDownloader.write_all()
  • fragment_elaboration_scripts.fragmenstein_merge_sw_place module
  • fragment_elaboration_scripts.fragment module
  • fragment_elaboration_scripts.lock_n_keyify module
  • fragment_elaboration_scripts.misc module
  • fragment_elaboration_scripts.oe_conformer_gen module
  • fragment_elaboration_scripts.plip module
  • fragment_elaboration_scripts.prep_fragalysis module
  • fragment_elaboration_scripts.pyrosetta_min module
  • fragment_elaboration_scripts.retrieve_PDB_ligands module
  • fragment_elaboration_scripts.row_getter module
  • fragment_elaboration_scripts.upload_fragalysis module
  • fragment_elaboration_scripts.zinc_data module
    • CLI Usage
    • Installation
    • ZincInformer
      • ZincInformer.__init__()
      • ZincInformer.dump()
      • ZincInformer.get_dl()
      • ZincInformer.get_soup()
      • ZincInformer.get_zinc_info()
      • ZincInformer.load()
      • ZincInformer.polísh()
    • main()
  • Module contents

Indices and tables

• Index

• Module Index

• Search Page