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Functions
hydrate Namespace Reference

Functions

BooleanOptionKey const hydrate ("hydrate")
 
FileOptionKey const hyfile ("hydrate:hyfile")
 
BooleanOptionKey const hydrate_all ("hydrate:hydrate_all")
 
IntegerVectorOptionKey const ignore_fa_sol_at_positions ("hydrate:ignore_fa_sol_at_positions")
 
BooleanOptionKey const attempt_all_polar ("hydrate:attempt_all_polar")
 
RealOptionKey const partial_hydrate_dew ("hydrate:partial_hydrate_dew")
 
RealOptionKey const water_energy_threshold ("hydrate:water_energy_threshold")
 
IntegerOptionKey const water_rotamers_cap ("hydrate:water_rotamers_cap")
 
RealOptionKey const water_packing_radius ("hydrate:water_packing_radius")
 
RealOptionKey const water_angular_resolution ("hydrate:water_angular_resolution")
 
RealOptionKey const water_space_resolution ("hydrate:water_space_resolution")
 
RealOptionKey const hbond_threshold ("hydrate:hbond_threshold")
 
RealOptionKey const hbond_entropy_threshold ("hydrate:hbond_entropy_threshold")
 
RealOptionKey const water_desolvation ("hydrate:water_desolvation")
 
IntegerOptionKey const pack_nloop ("hydrate:pack_nloop")
 
BooleanOptionKey const pre_bump_check ("hydrate:pre_bump_check")
 
BooleanOptionKey const bias_design_search_to_native ("hydrate:bias_design_search_to_native")
 
BooleanOptionKey const show_derivatives_check ("hydrate:show_derivatives_check")
 
BooleanOptionKey const keep_non_buried_waters ("hydrate:keep_non_buried_waters")
 
BooleanOptionKey const display_water_hb_network ("hydrate:display_water_hb_network")
 
BooleanOptionKey const show_pre_post_filter_water_rotamers ("hydrate:show_pre_post_filter_water_rotamers")
 
BooleanOptionKey const show_pre_filtered_water_rotamers_count ("hydrate:show_pre_filtered_water_rotamers_count")
 
BooleanOptionKey const show_residues_near_water ("hydrate:show_residues_near_water")
 
BooleanOptionKey const only_remove_non_buried_waters ("hydrate:only_remove_non_buried_waters")
 
BooleanOptionKey const just_score ("hydrate:just_score")
 
BooleanOptionKey const show_rotamer_count ("hydrate:show_rotamer_count")
 
StringOptionKey const protein_flexibility ("hydrate:protein_flexibility")
 
RealOptionKey const near_water_threshold ("hydrate:near_water_threshold")
 
BooleanOptionKey const minimize_bb_where_packing ("hydrate:minimize_bb_where_packing")
 
BooleanOptionKey const dont_hydrate_hb_engaged_bb_O ("hydrate:dont_hydrate_hb_engaged_bb_O")
 
BooleanOptionKey const short_residence_time_mode ("hydrate:short_residence_time_mode")
 
FileOptionKey const min_backbone_file ("hydrate:min_backbone_file")
 
BooleanOptionKey const single_away_rotamer ("hydrate:single_away_rotamer")
 
BooleanOptionKey const force_enforce_all_waters ("hydrate:force_enforce_all_waters")
 

Function Documentation

BooleanOptionKey const hydrate::attempt_all_polar ( "hydrate:attempt_all_polar"  )
BooleanOptionKey const hydrate::bias_design_search_to_native ( "hydrate:bias_design_search_to_native"  )
BooleanOptionKey const hydrate::display_water_hb_network ( "hydrate:display_water_hb_network"  )
BooleanOptionKey const hydrate::dont_hydrate_hb_engaged_bb_O ( "hydrate:dont_hydrate_hb_engaged_bb_O"  )
BooleanOptionKey const hydrate::force_enforce_all_waters ( "hydrate:force_enforce_all_waters"  )
RealOptionKey const hydrate::hbond_entropy_threshold ( "hydrate:hbond_entropy_threshold"  )
RealOptionKey const hydrate::hbond_threshold ( "hydrate:hbond_threshold"  )
BooleanOptionKey const hydrate::hydrate ( "hydrate"  )
BooleanOptionKey const hydrate::hydrate_all ( "hydrate:hydrate_all"  )
FileOptionKey const hydrate::hyfile ( "hydrate:hyfile"  )
IntegerVectorOptionKey const hydrate::ignore_fa_sol_at_positions ( "hydrate:ignore_fa_sol_at_positions"  )
BooleanOptionKey const hydrate::just_score ( "hydrate:just_score"  )
BooleanOptionKey const hydrate::keep_non_buried_waters ( "hydrate:keep_non_buried_waters"  )
FileOptionKey const hydrate::min_backbone_file ( "hydrate:min_backbone_file"  )
BooleanOptionKey const hydrate::minimize_bb_where_packing ( "hydrate:minimize_bb_where_packing"  )
RealOptionKey const hydrate::near_water_threshold ( "hydrate:near_water_threshold"  )
BooleanOptionKey const hydrate::only_remove_non_buried_waters ( "hydrate:only_remove_non_buried_waters"  )
IntegerOptionKey const hydrate::pack_nloop ( "hydrate:pack_nloop"  )
RealOptionKey const hydrate::partial_hydrate_dew ( "hydrate:partial_hydrate_dew"  )
BooleanOptionKey const hydrate::pre_bump_check ( "hydrate:pre_bump_check"  )
StringOptionKey const hydrate::protein_flexibility ( "hydrate:protein_flexibility"  )
BooleanOptionKey const hydrate::short_residence_time_mode ( "hydrate:short_residence_time_mode"  )
BooleanOptionKey const hydrate::show_derivatives_check ( "hydrate:show_derivatives_check"  )
BooleanOptionKey const hydrate::show_pre_filtered_water_rotamers_count ( "hydrate:show_pre_filtered_water_rotamers_count"  )
BooleanOptionKey const hydrate::show_pre_post_filter_water_rotamers ( "hydrate:show_pre_post_filter_water_rotamers"  )
BooleanOptionKey const hydrate::show_residues_near_water ( "hydrate:show_residues_near_water"  )
BooleanOptionKey const hydrate::show_rotamer_count ( "hydrate:show_rotamer_count"  )
BooleanOptionKey const hydrate::single_away_rotamer ( "hydrate:single_away_rotamer"  )
RealOptionKey const hydrate::water_angular_resolution ( "hydrate:water_angular_resolution"  )
RealOptionKey const hydrate::water_desolvation ( "hydrate:water_desolvation"  )
RealOptionKey const hydrate::water_energy_threshold ( "hydrate:water_energy_threshold"  )
RealOptionKey const hydrate::water_packing_radius ( "hydrate:water_packing_radius"  )
IntegerOptionKey const hydrate::water_rotamers_cap ( "hydrate:water_rotamers_cap"  )
RealOptionKey const hydrate::water_space_resolution ( "hydrate:water_space_resolution"  )