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How to use MetaScreener

• Basic commands
• Make a test
• Sequential Mode
• Execution summary file
• Number of jobs
• Results analysis
  • Mandatory options
  • Optional options
• Error debugging

Techniques

• Virtual screening

  • Virtual Screening with AD
  • Virtual Screening with LF
  • Virtual Screening with LS
  • Virtual Screening with DC
  • Virtual Screening with EO
  • Virtual Screening with RC

• Blind docking

  • Blind docking with AD
  • Blind docking with LF

• extra_metascreener

  • extra_metascreener/convert
    • conv_to.py
    • fragment_mol2/saltRemover.py
  • extra_metascreener/launchers
    • launcher_bd.sh
    • launcher_ls.sh
  • extra_metascreener/results
    • analyze_residues_plip.py
    • consensus.sh
  • extra_metascreener/utils
    • distance_ligand_point-py