Command Line Scripting with COSMO-RS

• AMSprep: construct an ADF COSMO results file
• CRSprep: generate (multiple) COSMO-RS jobs
• AMSreport: generate report
• KF utilities for COSMO-RS
  • KF browser
  • kf2cosmo and cosmo2kf
  • pkf, cpkf, dmpkf, udmpkf
• Scripting Examples
  • Example: COSMO result files
  • Example: COSMO-RS parameters and analysis
  • Example: COSMO-RS properties
  • Example: The COSMO-RS compound database
  • Example: pKa values
  • Example: Polymers