corrections::score Namespace Reference

Functions
BooleanOptionKey const	score ("corrections:score")
BooleanOptionKey const	bbdep_omega ("corrections:score:bbdep_omega")
BooleanOptionKey const	bbdep_bond_params ("corrections:score:bbdep_bond_params")
BooleanOptionKey const	bbdep_bond_devs ("corrections:score:bbdep_bond_devs")
BooleanOptionKey const	fa_dun_canonicals_use_voronoi ("corrections:score:fa_dun_canonicals_use_voronoi")
BooleanOptionKey const	fa_dun_noncanonicals_use_voronoi ("corrections:score:fa_dun_noncanonicals_use_voronoi")
BooleanOptionKey const	fa_dun_correct_rotamer_well_order ("corrections:score:fa_dun_correct_rotamer_well_order")
BooleanOptionKey const	fa_dun_correct_achiral_peptoid_libraries ("corrections:score:fa_dun_correct_achiral_peptoid_libraries")
BooleanOptionKey const	no_his_his_pairE ("corrections:score:no_his_his_pairE")
BooleanOptionKey const	no_his_DE_pairE ("corrections:score:no_his_DE_pairE")
StringOptionKey const	p_aa_pp ("corrections:score:p_aa_pp")
BooleanOptionKey const	p_aa_pp_nogridshift ("corrections:score:p_aa_pp_nogridshift")
BooleanOptionKey const	rama_not_squared ("corrections:score:rama_not_squared")
FileOptionKey const	rama_map ("corrections:score:rama_map")
FileOptionKey const	rama_pp_map ("corrections:score:rama_pp_map")
FileOptionKey const	rama_map_average_L_flat ("corrections:score:rama_map_average_L_flat")
FileOptionKey const	rama_map_sym_average_L_flat ("corrections:score:rama_map_sym_average_L_flat")
FileOptionKey const	rama_map_sym_gly_flat ("corrections:score:rama_map_sym_gly_flat")
FileOptionKey const	rama_map_sym_pro_flat ("corrections:score:rama_map_sym_pro_flat")
FileOptionKey const	rama_map_average_L_flat_stringent ("corrections:score:rama_map_average_L_flat_stringent")
FileOptionKey const	rama_map_sym_average_L_flat_stringent ("corrections:score:rama_map_sym_average_L_flat_stringent")
FileOptionKey const	rama_map_sym_gly_flat_stringent ("corrections:score:rama_map_sym_gly_flat_stringent")
FileOptionKey const	rama_map_sym_pro_flat_stringent ("corrections:score:rama_map_sym_pro_flat_stringent")
BooleanOptionKey const	rama_prepro_steep ("corrections:score:rama_prepro_steep")
BooleanOptionKey const	rama_prepro_nobidentate ("corrections:score:rama_prepro_nobidentate")
BooleanOptionKey const	cenrot ("corrections:score:cenrot")
BooleanOptionKey const	dun10 ("corrections:score:dun10")
StringOptionKey const	dun10_dir ("corrections:score:dun10_dir")
StringOptionKey const	dun02_file ("corrections:score:dun02_file")
StringOptionKey const	ch_o_bond_potential ("corrections:score:ch_o_bond_potential")
RealOptionKey const	lj_hbond_hdis ("corrections:score:lj_hbond_hdis")
RealOptionKey const	lj_hbond_OH_donor_dis ("corrections:score:lj_hbond_OH_donor_dis")
BooleanOptionKey const	score12prime ("corrections:score:score12prime")
RealOptionKey const	hbond_energy_shift ("corrections:score:hbond_energy_shift")
RealOptionKey const	hb_sp2_BAH180_rise ("corrections:score:hb_sp2_BAH180_rise")
RealOptionKey const	hb_sp2_outer_width ("corrections:score:hb_sp2_outer_width")
BooleanOptionKey const	hb_sp2_chipen ("corrections:score:hb_sp2_chipen")
BooleanOptionKey const	hbond_measure_sp3acc_BAH_from_hvy ("corrections:score:hbond_measure_sp3acc_BAH_from_hvy")
BooleanOptionKey const	hb_fade_energy ("corrections:score:hb_fade_energy")
BooleanOptionKey const	hb_exclude_ether_oxygens ("corrections:score:hb_exclude_ether_oxygens")
BooleanOptionKey const	hb_cen_soft ("corrections:score:hb_cen_soft")
BooleanOptionKey const	use_bicubic_interpolation ("corrections:score:use_bicubic_interpolation")
BooleanOptionKey const	dun_normsd ("corrections:score:dun_normsd")
BooleanOptionKey const	dun_entropy_correction ("corrections:score:dun_entropy_correction")
BooleanOptionKey const	no_autogen_cart_improper ("corrections:score:no_autogen_cart_improper")
RealOptionKey const	gridscore_outbox_penalty_weight ("corrections:score:gridscore_outbox_penalty_weight")

Function Documentation

bbdep_bond_devs()

BooleanOptionKey const corrections::score::bbdep_bond_devs

(

"corrections:score:bbdep_bond_devs"

)

bbdep_bond_params()

BooleanOptionKey const corrections::score::bbdep_bond_params

(

"corrections:score:bbdep_bond_params"

)

bbdep_omega()

BooleanOptionKey const corrections::score::bbdep_omega

(

"corrections:score:bbdep_omega"

)

cenrot()

BooleanOptionKey const corrections::score::cenrot

(

"corrections:score:cenrot"

)

Referenced by collect_residue_types().

ch_o_bond_potential()

StringOptionKey const corrections::score::ch_o_bond_potential

(

"corrections:score:ch_o_bond_potential"

)

dun02_file()

StringOptionKey const corrections::score::dun02_file

(

"corrections:score:dun02_file"

)

dun10()

BooleanOptionKey const corrections::score::dun10

(

"corrections:score:dun10"

)

Referenced by split_fa_dun().

dun10_dir()

StringOptionKey const corrections::score::dun10_dir

(

"corrections:score:dun10_dir"

)

dun_entropy_correction()

BooleanOptionKey const corrections::score::dun_entropy_correction

(

"corrections:score:dun_entropy_correction"

)

dun_normsd()

BooleanOptionKey const corrections::score::dun_normsd

(

"corrections:score:dun_normsd"

)

fa_dun_canonicals_use_voronoi()

BooleanOptionKey const corrections::score::fa_dun_canonicals_use_voronoi

(

"corrections:score:fa_dun_canonicals_use_voronoi"

)

fa_dun_correct_achiral_peptoid_libraries()

BooleanOptionKey const corrections::score::fa_dun_correct_achiral_peptoid_libraries

(

"corrections:score:fa_dun_correct_achiral_peptoid_libraries"

)

fa_dun_correct_rotamer_well_order()

BooleanOptionKey const corrections::score::fa_dun_correct_rotamer_well_order

(

"corrections:score:fa_dun_correct_rotamer_well_order"

)

fa_dun_noncanonicals_use_voronoi()

BooleanOptionKey const corrections::score::fa_dun_noncanonicals_use_voronoi

(

"corrections:score:fa_dun_noncanonicals_use_voronoi"

)

gridscore_outbox_penalty_weight()

RealOptionKey const corrections::score::gridscore_outbox_penalty_weight

(

"corrections:score:gridscore_outbox_penalty_weight"

)

hb_cen_soft()

BooleanOptionKey const corrections::score::hb_cen_soft

(

"corrections:score:hb_cen_soft"

)

hb_exclude_ether_oxygens()

BooleanOptionKey const corrections::score::hb_exclude_ether_oxygens

(

"corrections:score:hb_exclude_ether_oxygens"

)

hb_fade_energy()

BooleanOptionKey const corrections::score::hb_fade_energy

(

"corrections:score:hb_fade_energy"

)

hb_sp2_BAH180_rise()

RealOptionKey const corrections::score::hb_sp2_BAH180_rise

(

"corrections:score:hb_sp2_BAH180_rise"

)

hb_sp2_chipen()

BooleanOptionKey const corrections::score::hb_sp2_chipen

(

"corrections:score:hb_sp2_chipen"

)

hb_sp2_outer_width()

RealOptionKey const corrections::score::hb_sp2_outer_width

(

"corrections:score:hb_sp2_outer_width"

)

hbond_energy_shift()

RealOptionKey const corrections::score::hbond_energy_shift

(

"corrections:score:hbond_energy_shift"

)

hbond_measure_sp3acc_BAH_from_hvy()

BooleanOptionKey const corrections::score::hbond_measure_sp3acc_BAH_from_hvy

(

"corrections:score:hbond_measure_sp3acc_BAH_from_hvy"

)

lj_hbond_hdis()

RealOptionKey const corrections::score::lj_hbond_hdis

(

"corrections:score:lj_hbond_hdis"

)

lj_hbond_OH_donor_dis()

RealOptionKey const corrections::score::lj_hbond_OH_donor_dis

(

"corrections:score:lj_hbond_OH_donor_dis"

)

no_autogen_cart_improper()

BooleanOptionKey const corrections::score::no_autogen_cart_improper

(

"corrections:score:no_autogen_cart_improper"

)

no_his_DE_pairE()

BooleanOptionKey const corrections::score::no_his_DE_pairE

(

"corrections:score:no_his_DE_pairE"

)

no_his_his_pairE()

BooleanOptionKey const corrections::score::no_his_his_pairE

(

"corrections:score:no_his_his_pairE"

)

p_aa_pp()

StringOptionKey const corrections::score::p_aa_pp

(

"corrections:score:p_aa_pp"

)

p_aa_pp_nogridshift()

BooleanOptionKey const corrections::score::p_aa_pp_nogridshift

(

"corrections:score:p_aa_pp_nogridshift"

)

rama_map()

FileOptionKey const corrections::score::rama_map

(

"corrections:score:rama_map"

)

rama_map_average_L_flat()

FileOptionKey const corrections::score::rama_map_average_L_flat

(

"corrections:score:rama_map_average_L_flat"

)

rama_map_average_L_flat_stringent()

FileOptionKey const corrections::score::rama_map_average_L_flat_stringent

(

"corrections:score:rama_map_average_L_flat_stringent"

)

rama_map_sym_average_L_flat()

FileOptionKey const corrections::score::rama_map_sym_average_L_flat

(

"corrections:score:rama_map_sym_average_L_flat"

)

rama_map_sym_average_L_flat_stringent()

FileOptionKey const corrections::score::rama_map_sym_average_L_flat_stringent

(

"corrections:score:rama_map_sym_average_L_flat_stringent"

)

rama_map_sym_gly_flat()

FileOptionKey const corrections::score::rama_map_sym_gly_flat

(

"corrections:score:rama_map_sym_gly_flat"

)

rama_map_sym_gly_flat_stringent()

FileOptionKey const corrections::score::rama_map_sym_gly_flat_stringent

(

"corrections:score:rama_map_sym_gly_flat_stringent"

)

rama_map_sym_pro_flat()

FileOptionKey const corrections::score::rama_map_sym_pro_flat

(

"corrections:score:rama_map_sym_pro_flat"

)

rama_map_sym_pro_flat_stringent()

FileOptionKey const corrections::score::rama_map_sym_pro_flat_stringent

(

"corrections:score:rama_map_sym_pro_flat_stringent"

)

rama_not_squared()

BooleanOptionKey const corrections::score::rama_not_squared

(

"corrections:score:rama_not_squared"

)

rama_pp_map()

FileOptionKey const corrections::score::rama_pp_map

(

"corrections:score:rama_pp_map"

)

rama_prepro_nobidentate()

BooleanOptionKey const corrections::score::rama_prepro_nobidentate

(

"corrections:score:rama_prepro_nobidentate"

)

rama_prepro_steep()

BooleanOptionKey const corrections::score::rama_prepro_steep

(

"corrections:score:rama_prepro_steep"

)

score()

BooleanOptionKey const corrections::score::score

(

"corrections:score"

)

score12prime()

BooleanOptionKey const corrections::score::score12prime

(

"corrections:score:score12prime"

)

use_bicubic_interpolation()

BooleanOptionKey const corrections::score::use_bicubic_interpolation

(

"corrections:score:use_bicubic_interpolation"

)