biobb_chemistry

• acpype package
  • Submodules
  • acpype.acpype_params_ac module
    • AcpypeParamsAC
      • AcpypeParamsAC.check_data_params()
      • AcpypeParamsAC.create_cmd()
      • AcpypeParamsAC.launch()
    • acpype_params_ac()
    • main()
  • acpype.acpype_params_cns module
    • AcpypeParamsCNS
      • AcpypeParamsCNS.check_data_params()
      • AcpypeParamsCNS.create_cmd()
      • AcpypeParamsCNS.launch()
    • acpype_params_cns()
    • main()
  • acpype.acpype_params_gmx module
    • AcpypeParamsGMX
      • AcpypeParamsGMX.check_data_params()
      • AcpypeParamsGMX.create_cmd()
      • AcpypeParamsGMX.launch()
    • acpype_params_gmx()
    • main()
  • acpype.acpype_params_gmx_opls module
    • AcpypeParamsGMXOPLS
      • AcpypeParamsGMXOPLS.check_data_params()
      • AcpypeParamsGMXOPLS.create_cmd()
      • AcpypeParamsGMXOPLS.launch()
    • acpype_params_gmx_opls()
    • main()
  • acpype.acpype_convert_amber_to_gmx module
    • AcpypeConvertAMBERtoGMX
      • AcpypeConvertAMBERtoGMX.check_data_params()
      • AcpypeConvertAMBERtoGMX.create_cmd()
      • AcpypeConvertAMBERtoGMX.launch()
    • acpype_convert_amber_to_gmx()
    • main()
• babelm package
  • Submodules
  • babelm.babel_convert module
    • BabelConvert
      • BabelConvert.check_data_params()
      • BabelConvert.create_cmd()
      • BabelConvert.launch()
    • babel_convert()
    • main()
  • babelm.babel_add_hydrogens module
    • BabelAddHydrogens
      • BabelAddHydrogens.check_data_params()
      • BabelAddHydrogens.create_cmd()
      • BabelAddHydrogens.launch()
    • babel_add_hydrogens()
    • main()
  • babelm.babel_minimize module
    • BabelMinimize
      • BabelMinimize.check_data_params()
      • BabelMinimize.create_cmd()
      • BabelMinimize.launch()
    • babel_minimize()
    • main()
  • babelm.babel_remove_hydrogens module
    • BabelRemoveHydrogens
      • BabelRemoveHydrogens.check_data_params()
      • BabelRemoveHydrogens.create_cmd()
      • BabelRemoveHydrogens.launch()
    • babel_remove_hydrogens()
    • main()
• ambertools package
  • Submodules
  • ambertools.reduce_add_hydrogens
    • ReduceAddHydrogens
      • ReduceAddHydrogens.check_data_params()
      • ReduceAddHydrogens.create_cmd()
      • ReduceAddHydrogens.launch()
    • main()
    • reduce_add_hydrogens()
  • ambertools.reduce_remove_hydrogens
    • ReduceRemoveHydrogens
      • ReduceRemoveHydrogens.check_data_params()
      • ReduceRemoveHydrogens.create_cmd()
      • ReduceRemoveHydrogens.launch()
    • main()
    • reduce_remove_hydrogens()