Drug design module (DRUG)

• Introduction.
• Drug docking options
  • Docking a drug in density (DENFIT)
  • Docking a drug in density (DENOPT)
• Reading/writing drugs from/into drug coordinate files
  • Reading cambridge database files (GETCSD)
  • Reading TRIPOS MOL2 files (GETML2)
• Other drug related options
  • creating a small molecule topology entry (DRGTOP)
  • docking a drug (LIGIN)
• Docking flexible drugs with (FLEXX)