Rosetta  2020.37
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Functions
fingerprint Namespace Reference

Functions

BooleanOptionKey const fingerprint ("fingerprint")
 
BooleanOptionKey const print_eggshell ("fingerprint:print_eggshell")
 
RealOptionKey const atom_radius_scale ("fingerprint:atom_radius_scale")
 
RealOptionKey const atom_radius_buffer ("fingerprint:atom_radius_buffer")
 
RealOptionKey const packing_weight ("fingerprint:packing_weight")
 
RealOptionKey const dist_cut_off ("fingerprint:dist_cut_off")
 
BooleanOptionKey const include_extrashell_to_set_origin ("fingerprint:include_extrashell_to_set_origin")
 
BooleanOptionKey const include_hydrogens ("fingerprint:include_hydrogens")
 
BooleanOptionKey const multiple_origin ("fingerprint:multiple_origin")
 
BooleanOptionKey const use_DARC_gpu ("fingerprint:use_DARC_gpu")
 
BooleanOptionKey const square_score ("fingerprint:square_score")
 
BooleanOptionKey const darc_components ("fingerprint:darc_components")
 
IntegerOptionKey const set_origin ("fingerprint:set_origin")
 
StringOptionKey const origin_res_num ("fingerprint:origin_res_num")
 
BooleanOptionKey const add_esp ("fingerprint:add_esp")
 
BooleanOptionKey const darc_shape_only ("fingerprint:darc_shape_only")
 
BooleanOptionKey const darc_elsts_only ("fingerprint:darc_elsts_only")
 
RealOptionKey const esp_weight ("fingerprint:esp_weight")
 
RealOptionKey const esp_protein_wt ("fingerprint:esp_protein_wt")
 
RealOptionKey const esp_surface_wt ("fingerprint:esp_surface_wt")
 
BooleanOptionKey const delphi_grid ("fingerprint:delphi_grid")
 
RealOptionKey const cap_e_potential ("fingerprint:cap_e_potential")
 
BooleanOptionKey const return_zero_darc_score ("fingerprint:return_zero_darc_score")
 
BooleanOptionKey const set_surface_esp_to_zero ("fingerprint:set_surface_esp_to_zero")
 
BooleanOptionKey const set_protein_esp_to_zero ("fingerprint:set_protein_esp_to_zero")
 
StringOptionKey const inp_lig ("fingerprint:inp_lig")
 
StringOptionKey const ref_lig ("fingerprint:ref_lig")
 

Function Documentation

BooleanOptionKey const fingerprint::add_esp ( "fingerprint:add_esp"  )
RealOptionKey const fingerprint::atom_radius_buffer ( "fingerprint:atom_radius_buffer"  )
RealOptionKey const fingerprint::atom_radius_scale ( "fingerprint:atom_radius_scale"  )
RealOptionKey const fingerprint::cap_e_potential ( "fingerprint:cap_e_potential"  )
BooleanOptionKey const fingerprint::darc_components ( "fingerprint:darc_components"  )
BooleanOptionKey const fingerprint::darc_elsts_only ( "fingerprint:darc_elsts_only"  )
BooleanOptionKey const fingerprint::darc_shape_only ( "fingerprint:darc_shape_only"  )
BooleanOptionKey const fingerprint::delphi_grid ( "fingerprint:delphi_grid"  )
RealOptionKey const fingerprint::dist_cut_off ( "fingerprint:dist_cut_off"  )
RealOptionKey const fingerprint::esp_protein_wt ( "fingerprint:esp_protein_wt"  )
RealOptionKey const fingerprint::esp_surface_wt ( "fingerprint:esp_surface_wt"  )
RealOptionKey const fingerprint::esp_weight ( "fingerprint:esp_weight"  )
BooleanOptionKey const fingerprint::fingerprint ( "fingerprint"  )
BooleanOptionKey const fingerprint::include_extrashell_to_set_origin ( "fingerprint:include_extrashell_to_set_origin"  )
BooleanOptionKey const fingerprint::include_hydrogens ( "fingerprint:include_hydrogens"  )
StringOptionKey const fingerprint::inp_lig ( "fingerprint:inp_lig"  )
BooleanOptionKey const fingerprint::multiple_origin ( "fingerprint:multiple_origin"  )
StringOptionKey const fingerprint::origin_res_num ( "fingerprint:origin_res_num"  )
RealOptionKey const fingerprint::packing_weight ( "fingerprint:packing_weight"  )
BooleanOptionKey const fingerprint::print_eggshell ( "fingerprint:print_eggshell"  )
StringOptionKey const fingerprint::ref_lig ( "fingerprint:ref_lig"  )
BooleanOptionKey const fingerprint::return_zero_darc_score ( "fingerprint:return_zero_darc_score"  )
IntegerOptionKey const fingerprint::set_origin ( "fingerprint:set_origin"  )
BooleanOptionKey const fingerprint::set_protein_esp_to_zero ( "fingerprint:set_protein_esp_to_zero"  )
BooleanOptionKey const fingerprint::set_surface_esp_to_zero ( "fingerprint:set_surface_esp_to_zero"  )
BooleanOptionKey const fingerprint::square_score ( "fingerprint:square_score"  )
BooleanOptionKey const fingerprint::use_DARC_gpu ( "fingerprint:use_DARC_gpu"  )