smhybrid Namespace Reference

Functions
BooleanOptionKey const	smhybrid ("smhybrid")
BooleanOptionKey const	add_cavities ("smhybrid:add_cavities")
BooleanOptionKey const	abinitio_design ("smhybrid:abinitio_design")
BooleanOptionKey const	fa_refine ("smhybrid:fa_refine")
BooleanOptionKey const	virtual_nterm ("smhybrid:virtual_nterm")
BooleanOptionKey const	debug ("smhybrid:debug")
BooleanOptionKey const	refine ("smhybrid:refine")
BooleanOptionKey const	centroid_all_val ("smhybrid:centroid_all_val")
BooleanOptionKey const	subsubs_attract ("smhybrid:subsubs_attract")
BooleanOptionKey const	linker_cst ("smhybrid:linker_cst")
BooleanOptionKey const	pseudosym ("smhybrid:pseudosym")
BooleanOptionKey const	design_linker ("smhybrid:design_linker")
BooleanOptionKey const	design ("smhybrid:design")
BooleanOptionKey const	restrict_design_to_interface ("smhybrid:restrict_design_to_interface")
BooleanOptionKey const	restrict_design_to_subsub_interface ("smhybrid:restrict_design_to_subsub_interface")
BooleanOptionKey const	design_hydrophobic ("smhybrid:design_hydrophobic")
BooleanOptionKey const	add_metal_at_0 ("smhybrid:add_metal_at_0")
IntegerOptionKey const	nres_mono ("smhybrid:nres_mono")
IntegerOptionKey const	abinitio_cycles ("smhybrid:abinitio_cycles")
IntegerOptionKey const	primary_subsubunit ("smhybrid:primary_subsubunit")
IntegerOptionKey const	minbb ("smhybrid:minbb")
IntegerOptionKey const	switch_concert_sub ("smhybrid:switch_concert_sub")
RealOptionKey const	temperature ("smhybrid:temperature")
BooleanOptionKey const	inter_subsub_cst ("smhybrid:inter_subsub_cst")
RealOptionKey const	rb_mag ("smhybrid:rb_mag")
FileOptionKey const	symm_def_template ("smhybrid:symm_def_template")
FileOptionKey const	symm_def_template_reduced ("smhybrid:symm_def_template_reduced")
IntegerVectorOptionKey const	attach_as_sc ("smhybrid:attach_as_sc")
IntegerVectorOptionKey const	attach_as_sc_sub ("smhybrid:attach_as_sc_sub")
BooleanVectorOptionKey const	chainbreaks ("smhybrid:chainbreaks")
StringVectorOptionKey const	design_res_files ("smhybrid:design_res_files")
StringVectorOptionKey const	fixed_res_files ("smhybrid:fixed_res_files")
StringVectorOptionKey const	frag_res_files ("smhybrid:frag_res_files")
StringVectorOptionKey const	scattach_res_files ("smhybrid:scattach_res_files")
StringVectorOptionKey const	rep_edge_files ("smhybrid:rep_edge_files")
StringVectorOptionKey const	virtual_res_files ("smhybrid:virtual_res_files")
StringVectorOptionKey const	jumpcut_files ("smhybrid:jumpcut_files")
StringVectorOptionKey const	cst_sub_files ("smhybrid:cst_sub_files")
StringVectorOptionKey const	symm_file_tag ("smhybrid:symm_file_tag")
StringVectorOptionKey const	attach_atom ("smhybrid:attach_atom")
StringVectorOptionKey const	add_res_before ("smhybrid:add_res_before")
StringVectorOptionKey const	add_res_after ("smhybrid:add_res_after")
StringVectorOptionKey const	add_ss_before ("smhybrid:add_ss_before")
StringVectorOptionKey const	add_ss_after ("smhybrid:add_ss_after")
StringVectorOptionKey const	add_atom_at_cen ("smhybrid:add_atom_at_cen")
StringVectorOptionKey const	attach_rsd ("smhybrid:attach_rsd")

Function Documentation

abinitio_cycles()

IntegerOptionKey const smhybrid::abinitio_cycles

(

"smhybrid:abinitio_cycles"

)

abinitio_design()

BooleanOptionKey const smhybrid::abinitio_design

(

"smhybrid:abinitio_design"

)

add_atom_at_cen()

StringVectorOptionKey const smhybrid::add_atom_at_cen

(

"smhybrid:add_atom_at_cen"

)

add_cavities()

BooleanOptionKey const smhybrid::add_cavities

(

"smhybrid:add_cavities"

)

add_metal_at_0()

BooleanOptionKey const smhybrid::add_metal_at_0

(

"smhybrid:add_metal_at_0"

)

add_res_after()

StringVectorOptionKey const smhybrid::add_res_after

(

"smhybrid:add_res_after"

)

Referenced by posewrap_from_command_line().

add_res_before()

StringVectorOptionKey const smhybrid::add_res_before

(

"smhybrid:add_res_before"

)

Referenced by posewrap_from_command_line().

add_ss_after()

StringVectorOptionKey const smhybrid::add_ss_after

(

"smhybrid:add_ss_after"

)

Referenced by posewrap_from_command_line().

add_ss_before()

StringVectorOptionKey const smhybrid::add_ss_before

(

"smhybrid:add_ss_before"

)

Referenced by posewrap_from_command_line().

attach_as_sc()

IntegerVectorOptionKey const smhybrid::attach_as_sc

(

"smhybrid:attach_as_sc"

)

Referenced by posewrap_from_command_line().

attach_as_sc_sub()

IntegerVectorOptionKey const smhybrid::attach_as_sc_sub

(

"smhybrid:attach_as_sc_sub"

)

attach_atom()

StringVectorOptionKey const smhybrid::attach_atom

(

"smhybrid:attach_atom"

)

Referenced by posewrap_from_command_line().

attach_rsd()

StringVectorOptionKey const smhybrid::attach_rsd

(

"smhybrid:attach_rsd"

)

Referenced by posewrap_from_command_line().

centroid_all_val()

BooleanOptionKey const smhybrid::centroid_all_val

(

"smhybrid:centroid_all_val"

)

chainbreaks()

BooleanVectorOptionKey const smhybrid::chainbreaks

(

"smhybrid:chainbreaks"

)

Referenced by posewrap_from_command_line().

cst_sub_files()

StringVectorOptionKey const smhybrid::cst_sub_files

(

"smhybrid:cst_sub_files"

)

Referenced by posewrap_from_command_line().

debug()

BooleanOptionKey const smhybrid::debug

(

"smhybrid:debug"

)

design()

BooleanOptionKey const smhybrid::design

(

"smhybrid:design"

)

design_hydrophobic()

BooleanOptionKey const smhybrid::design_hydrophobic

(

"smhybrid:design_hydrophobic"

)

design_linker()

BooleanOptionKey const smhybrid::design_linker

(

"smhybrid:design_linker"

)

design_res_files()

StringVectorOptionKey const smhybrid::design_res_files

(

"smhybrid:design_res_files"

)

Referenced by posewrap_from_command_line().

fa_refine()

BooleanOptionKey const smhybrid::fa_refine

(

"smhybrid:fa_refine"

)

fixed_res_files()

StringVectorOptionKey const smhybrid::fixed_res_files

(

"smhybrid:fixed_res_files"

)

Referenced by posewrap_from_command_line().

frag_res_files()

StringVectorOptionKey const smhybrid::frag_res_files

(

"smhybrid:frag_res_files"

)

Referenced by posewrap_from_command_line().

inter_subsub_cst()

BooleanOptionKey const smhybrid::inter_subsub_cst

(

"smhybrid:inter_subsub_cst"

)

jumpcut_files()

StringVectorOptionKey const smhybrid::jumpcut_files

(

"smhybrid:jumpcut_files"

)

Referenced by posewrap_from_command_line().

linker_cst()

BooleanOptionKey const smhybrid::linker_cst

(

"smhybrid:linker_cst"

)

minbb()

IntegerOptionKey const smhybrid::minbb

(

"smhybrid:minbb"

)

nres_mono()

IntegerOptionKey const smhybrid::nres_mono

(

"smhybrid:nres_mono"

)

primary_subsubunit()

IntegerOptionKey const smhybrid::primary_subsubunit

(

"smhybrid:primary_subsubunit"

)

pseudosym()

BooleanOptionKey const smhybrid::pseudosym

(

"smhybrid:pseudosym"

)

rb_mag()

RealOptionKey const smhybrid::rb_mag

(

"smhybrid:rb_mag"

)

refine()

BooleanOptionKey const smhybrid::refine

(

"smhybrid:refine"

)

rep_edge_files()

StringVectorOptionKey const smhybrid::rep_edge_files

(

"smhybrid:rep_edge_files"

)

Referenced by posewrap_from_command_line().

restrict_design_to_interface()

BooleanOptionKey const smhybrid::restrict_design_to_interface

(

"smhybrid:restrict_design_to_interface"

)

restrict_design_to_subsub_interface()

BooleanOptionKey const smhybrid::restrict_design_to_subsub_interface

(

"smhybrid:restrict_design_to_subsub_interface"

)

scattach_res_files()

StringVectorOptionKey const smhybrid::scattach_res_files

(

"smhybrid:scattach_res_files"

)

Referenced by posewrap_from_command_line().

smhybrid()

BooleanOptionKey const smhybrid::smhybrid

(

"smhybrid"

)

subsubs_attract()

BooleanOptionKey const smhybrid::subsubs_attract

(

"smhybrid:subsubs_attract"

)

switch_concert_sub()

IntegerOptionKey const smhybrid::switch_concert_sub

(

"smhybrid:switch_concert_sub"

)

symm_def_template()

FileOptionKey const smhybrid::symm_def_template

(

"smhybrid:symm_def_template"

)

Referenced by posewrap_from_command_line().

symm_def_template_reduced()

FileOptionKey const smhybrid::symm_def_template_reduced

(

"smhybrid:symm_def_template_reduced"

)

Referenced by posewrap_from_command_line().

symm_file_tag()

StringVectorOptionKey const smhybrid::symm_file_tag

(

"smhybrid:symm_file_tag"

)

temperature()

RealOptionKey const smhybrid::temperature

(

"smhybrid:temperature"

)

virtual_nterm()

BooleanOptionKey const smhybrid::virtual_nterm

(

"smhybrid:virtual_nterm"

)

virtual_res_files()

StringVectorOptionKey const smhybrid::virtual_res_files

(

"smhybrid:virtual_res_files"

)

Referenced by posewrap_from_command_line().