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"

)