Python API

BFEE2 Python API provides information for the end-user to use BFEE2 in a console program / streamline.

One may always use BFEE2.inputGenerator and BFEE2.postTreatment when using BFEE2 Python API in automated/streamlined binding free-energy calculation. If one wants to use BFEE2 as an NAMD or Colvars parser, BFEE2.templates_namd also deserves to look at.

See BFEE2 user guide if one wants to know how to use BFEE2.

• BFEE2.commonTools
  • BFEE2.commonTools.commonSlots
  • BFEE2.commonTools.fileParser
  • BFEE2.commonTools.ploter
• BFEE2.gui
• BFEE2.inputGenerator
• BFEE2.templates_namd
  • BFEE2.templates_namd.configTemplate
  • BFEE2.templates_namd.scriptTemplate
• BFEE2.templates_gromacs
• BFEE2.postTreatment