basic::options::OptionKeys::docking Namespace Reference

Namespaces
	ligand

Functions
BooleanOptionKey const	kick_relax ("docking:kick_relax")
BooleanOptionKey const	docking ("docking")
BooleanOptionKey const	view ("docking:view")
BooleanOptionKey const	no_filters ("docking:no_filters")
StringVectorOptionKey const	design_chains ("docking:design_chains")
FileOptionKey const	recover_sidechains ("docking:recover_sidechains")
StringOptionKey const	partners ("docking:partners")
BooleanOptionKey const	docking_local_refine ("docking:docking_local_refine")
BooleanOptionKey const	low_res_protocol_only ("docking:low_res_protocol_only")
BooleanOptionKey const	randomize1 ("docking:randomize1")
BooleanOptionKey const	randomize2 ("docking:randomize2")
BooleanOptionKey const	use_ellipsoidal_randomization ("docking:use_ellipsoidal_randomization")
BooleanOptionKey const	spin ("docking:spin")
RealVectorOptionKey const	dock_pert ("docking:dock_pert")
RealOptionKey const	uniform_trans ("docking:uniform_trans")
BooleanOptionKey const	center_at_interface ("docking:center_at_interface")
IntegerOptionKey const	dock_mcm_first_cycles ("docking:dock_mcm_first_cycles")
IntegerOptionKey const	dock_mcm_second_cycles ("docking:dock_mcm_second_cycles")
IntegerOptionKey const	docking_centroid_outer_cycles ("docking:docking_centroid_outer_cycles")
IntegerOptionKey const	docking_centroid_inner_cycles ("docking:docking_centroid_inner_cycles")
BooleanOptionKey const	dock_min ("docking:dock_min")
StringOptionKey const	flexible_bb_docking ("docking:flexible_bb_docking")
RealOptionKey const	flexible_bb_docking_interface_dist ("docking:flexible_bb_docking_interface_dist")
StringOptionKey const	ensemble1 ("docking:ensemble1")
StringOptionKey const	ensemble2 ("docking:ensemble2")
RealOptionKey const	dock_mcm_trans_magnitude ("docking:dock_mcm_trans_magnitude")
RealOptionKey const	dock_mcm_rot_magnitude ("docking:dock_mcm_rot_magnitude")
RealOptionKey const	minimization_threshold ("docking:minimization_threshold")
RealOptionKey const	temperature ("docking:temperature")
IntegerOptionKey const	repack_period ("docking:repack_period")
BooleanOptionKey const	extra_rottrial ("docking:extra_rottrial")
BooleanOptionKey const	dock_rtmin ("docking:dock_rtmin")
BooleanOptionKey const	sc_min ("docking:sc_min")
BooleanOptionKey const	norepack1 ("docking:norepack1")
BooleanOptionKey const	norepack2 ("docking:norepack2")
IntegerVectorOptionKey const	bb_min_res ("docking:bb_min_res")
IntegerVectorOptionKey const	sc_min_res ("docking:sc_min_res")
BooleanOptionKey const	dock_ppk ("docking:dock_ppk")
IntegerOptionKey const	max_repeats ("docking:max_repeats")
RealVectorOptionKey const	dock_lowres_filter ("docking:dock_lowres_filter")
IntegerVectorOptionKey const	multibody ("docking:multibody")
BooleanOptionKey const	ignore_default_docking_task ("docking:ignore_default_docking_task")
StringOptionKey const	low_patch ("docking:low_patch")
StringOptionKey const	high_patch ("docking:high_patch")
StringOptionKey const	high_min_patch ("docking:high_min_patch")
StringOptionKey const	pack_patch ("docking:pack_patch")
BooleanOptionKey const	use_legacy_protocol ("docking:use_legacy_protocol")
RealOptionKey const	docklowres_trans_magnitude ("docking:docklowres_trans_magnitude")
RealOptionKey const	docklowres_rot_magnitude ("docking:docklowres_rot_magnitude")

Variables
BooleanOptionKey const	kick_relax
BooleanOptionKey const	docking
BooleanOptionKey const	view
BooleanOptionKey const	no_filters
StringVectorOptionKey const	design_chains
FileOptionKey const	recover_sidechains
StringOptionKey const	partners
BooleanOptionKey const	docking_local_refine
BooleanOptionKey const	low_res_protocol_only
BooleanOptionKey const	randomize1
BooleanOptionKey const	randomize2
BooleanOptionKey const	use_ellipsoidal_randomization
BooleanOptionKey const	spin
RealVectorOptionKey const	dock_pert
RealOptionKey const	uniform_trans
BooleanOptionKey const	center_at_interface
IntegerOptionKey const	dock_mcm_first_cycles
IntegerOptionKey const	dock_mcm_second_cycles
IntegerOptionKey const	docking_centroid_outer_cycles
IntegerOptionKey const	docking_centroid_inner_cycles
BooleanOptionKey const	dock_min
StringOptionKey const	flexible_bb_docking
RealOptionKey const	flexible_bb_docking_interface_dist
StringOptionKey const	ensemble1
StringOptionKey const	ensemble2
RealOptionKey const	dock_mcm_trans_magnitude
RealOptionKey const	dock_mcm_rot_magnitude
RealOptionKey const	minimization_threshold
RealOptionKey const	temperature
IntegerOptionKey const	repack_period
BooleanOptionKey const	extra_rottrial
BooleanOptionKey const	dock_rtmin
BooleanOptionKey const	sc_min
BooleanOptionKey const	norepack1
BooleanOptionKey const	norepack2
IntegerVectorOptionKey const	bb_min_res
IntegerVectorOptionKey const	sc_min_res
BooleanOptionKey const	dock_ppk
IntegerOptionKey const	max_repeats
RealVectorOptionKey const	dock_lowres_filter
IntegerVectorOptionKey const	multibody
BooleanOptionKey const	ignore_default_docking_task
StringOptionKey const	low_patch
StringOptionKey const	high_patch
StringOptionKey const	high_min_patch
StringOptionKey const	pack_patch
BooleanOptionKey const	use_legacy_protocol
RealOptionKey const	docklowres_trans_magnitude
RealOptionKey const	docklowres_rot_magnitude

Function Documentation

IntegerVectorOptionKey const basic::options::OptionKeys::docking::bb_min_res

(

"docking:bb_min_res"

)

BooleanOptionKey const basic::options::OptionKeys::docking::center_at_interface

(

"docking:center_at_interface"

)

StringVectorOptionKey const basic::options::OptionKeys::docking::design_chains

(

"docking:design_chains"

)

RealVectorOptionKey const basic::options::OptionKeys::docking::dock_lowres_filter

(

"docking:dock_lowres_filter"

)

IntegerOptionKey const basic::options::OptionKeys::docking::dock_mcm_first_cycles

(

"docking:dock_mcm_first_cycles"

)

RealOptionKey const basic::options::OptionKeys::docking::dock_mcm_rot_magnitude

(

"docking:dock_mcm_rot_magnitude"

)

IntegerOptionKey const basic::options::OptionKeys::docking::dock_mcm_second_cycles

(

"docking:dock_mcm_second_cycles"

)

RealOptionKey const basic::options::OptionKeys::docking::dock_mcm_trans_magnitude

(

"docking:dock_mcm_trans_magnitude"

)

BooleanOptionKey const basic::options::OptionKeys::docking::dock_min

(

"docking:dock_min"

)

RealVectorOptionKey const basic::options::OptionKeys::docking::dock_pert

(

"docking:dock_pert"

)

BooleanOptionKey const basic::options::OptionKeys::docking::dock_ppk

(

"docking:dock_ppk"

)

BooleanOptionKey const basic::options::OptionKeys::docking::dock_rtmin

(

"docking:dock_rtmin"

)

BooleanOptionKey const basic::options::OptionKeys::docking::docking

(

"docking"

)

IntegerOptionKey const basic::options::OptionKeys::docking::docking_centroid_inner_cycles

(

"docking:docking_centroid_inner_cycles"

)

IntegerOptionKey const basic::options::OptionKeys::docking::docking_centroid_outer_cycles

(

"docking:docking_centroid_outer_cycles"

)

BooleanOptionKey const basic::options::OptionKeys::docking::docking_local_refine

(

"docking:docking_local_refine"

)

RealOptionKey const basic::options::OptionKeys::docking::docklowres_rot_magnitude

(

"docking:docklowres_rot_magnitude"

)

RealOptionKey const basic::options::OptionKeys::docking::docklowres_trans_magnitude

(

"docking:docklowres_trans_magnitude"

)

StringOptionKey const basic::options::OptionKeys::docking::ensemble1

(

"docking:ensemble1"

)

StringOptionKey const basic::options::OptionKeys::docking::ensemble2

(

"docking:ensemble2"

)

BooleanOptionKey const basic::options::OptionKeys::docking::extra_rottrial

(

"docking:extra_rottrial"

)

StringOptionKey const basic::options::OptionKeys::docking::flexible_bb_docking

(

"docking:flexible_bb_docking"

)

RealOptionKey const basic::options::OptionKeys::docking::flexible_bb_docking_interface_dist

(

"docking:flexible_bb_docking_interface_dist"

)

StringOptionKey const basic::options::OptionKeys::docking::high_min_patch

(

"docking:high_min_patch"

)

StringOptionKey const basic::options::OptionKeys::docking::high_patch

(

"docking:high_patch"

)

BooleanOptionKey const basic::options::OptionKeys::docking::ignore_default_docking_task

(

"docking:ignore_default_docking_task"

)

BooleanOptionKey const basic::options::OptionKeys::docking::kick_relax

(

"docking:kick_relax"

)

StringOptionKey const basic::options::OptionKeys::docking::low_patch

(

"docking:low_patch"

)

BooleanOptionKey const basic::options::OptionKeys::docking::low_res_protocol_only

(

"docking:low_res_protocol_only"

)

IntegerOptionKey const basic::options::OptionKeys::docking::max_repeats

(

"docking:max_repeats"

)

RealOptionKey const basic::options::OptionKeys::docking::minimization_threshold

(

"docking:minimization_threshold"

)

IntegerVectorOptionKey const basic::options::OptionKeys::docking::multibody

(

"docking:multibody"

)

BooleanOptionKey const basic::options::OptionKeys::docking::no_filters

(

"docking:no_filters"

)

BooleanOptionKey const basic::options::OptionKeys::docking::norepack1

(

"docking:norepack1"

)

BooleanOptionKey const basic::options::OptionKeys::docking::norepack2

(

"docking:norepack2"

)

StringOptionKey const basic::options::OptionKeys::docking::pack_patch

(

"docking:pack_patch"

)

StringOptionKey const basic::options::OptionKeys::docking::partners

(

"docking:partners"

)

BooleanOptionKey const basic::options::OptionKeys::docking::randomize1

(

"docking:randomize1"

)

BooleanOptionKey const basic::options::OptionKeys::docking::randomize2

(

"docking:randomize2"

)

FileOptionKey const basic::options::OptionKeys::docking::recover_sidechains

(

"docking:recover_sidechains"

)

IntegerOptionKey const basic::options::OptionKeys::docking::repack_period

(

"docking:repack_period"

)

BooleanOptionKey const basic::options::OptionKeys::docking::sc_min

(

"docking:sc_min"

)

IntegerVectorOptionKey const basic::options::OptionKeys::docking::sc_min_res

(

"docking:sc_min_res"

)

BooleanOptionKey const basic::options::OptionKeys::docking::spin

(

"docking:spin"

)

RealOptionKey const basic::options::OptionKeys::docking::temperature

(

"docking:temperature"

)

RealOptionKey const basic::options::OptionKeys::docking::uniform_trans

(

"docking:uniform_trans"

)

BooleanOptionKey const basic::options::OptionKeys::docking::use_ellipsoidal_randomization

(

"docking:use_ellipsoidal_randomization"

)

BooleanOptionKey const basic::options::OptionKeys::docking::use_legacy_protocol

(

"docking:use_legacy_protocol"

)

BooleanOptionKey const basic::options::OptionKeys::docking::view

(

"docking:view"

)

Variable Documentation

IntegerVectorOptionKey const basic::options::OptionKeys::docking::bb_min_res("docking:bb_min_res")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::center_at_interface("docking:center_at_interface")

Referenced by add_rosetta_options_1().

StringVectorOptionKey const basic::options::OptionKeys::docking::design_chains("docking:design_chains")

Referenced by add_rosetta_options_1().

RealVectorOptionKey const basic::options::OptionKeys::docking::dock_lowres_filter("docking:dock_lowres_filter")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::dock_mcm_first_cycles("docking:dock_mcm_first_cycles")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::dock_mcm_rot_magnitude("docking:dock_mcm_rot_magnitude")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::dock_mcm_second_cycles("docking:dock_mcm_second_cycles")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::dock_mcm_trans_magnitude("docking:dock_mcm_trans_magnitude")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::dock_min("docking:dock_min")

Referenced by add_rosetta_options_1().

RealVectorOptionKey const basic::options::OptionKeys::docking::dock_pert("docking:dock_pert")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::dock_ppk("docking:dock_ppk")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::dock_rtmin("docking:dock_rtmin")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::docking("docking")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::docking_centroid_inner_cycles("docking:docking_centroid_inner_cycles")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::docking_centroid_outer_cycles("docking:docking_centroid_outer_cycles")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::docking_local_refine("docking:docking_local_refine")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::docklowres_rot_magnitude("docking:docklowres_rot_magnitude")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::docklowres_trans_magnitude("docking:docklowres_trans_magnitude")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::ensemble1("docking:ensemble1")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::ensemble2("docking:ensemble2")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::extra_rottrial("docking:extra_rottrial")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::flexible_bb_docking("docking:flexible_bb_docking")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::flexible_bb_docking_interface_dist("docking:flexible_bb_docking_interface_dist")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::high_min_patch("docking:high_min_patch")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::high_patch("docking:high_patch")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::ignore_default_docking_task("docking:ignore_default_docking_task")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::kick_relax("docking:kick_relax")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::low_patch("docking:low_patch")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::low_res_protocol_only("docking:low_res_protocol_only")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::max_repeats("docking:max_repeats")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::minimization_threshold("docking:minimization_threshold")

Referenced by add_rosetta_options_1().

IntegerVectorOptionKey const basic::options::OptionKeys::docking::multibody("docking:multibody")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::no_filters("docking:no_filters")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::norepack1("docking:norepack1")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::norepack2("docking:norepack2")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::pack_patch("docking:pack_patch")

Referenced by add_rosetta_options_1().

StringOptionKey const basic::options::OptionKeys::docking::partners("docking:partners")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::randomize1("docking:randomize1")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::randomize2("docking:randomize2")

Referenced by add_rosetta_options_1().

FileOptionKey const basic::options::OptionKeys::docking::recover_sidechains("docking:recover_sidechains")

Referenced by add_rosetta_options_1().

IntegerOptionKey const basic::options::OptionKeys::docking::repack_period("docking:repack_period")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::sc_min("docking:sc_min")

Referenced by add_rosetta_options_1().

IntegerVectorOptionKey const basic::options::OptionKeys::docking::sc_min_res("docking:sc_min_res")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::spin("docking:spin")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::temperature("docking:temperature")

Referenced by add_rosetta_options_1().

RealOptionKey const basic::options::OptionKeys::docking::uniform_trans("docking:uniform_trans")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::use_ellipsoidal_randomization("docking:use_ellipsoidal_randomization")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::use_legacy_protocol("docking:use_legacy_protocol")

Referenced by add_rosetta_options_1().

BooleanOptionKey const basic::options::OptionKeys::docking::view("docking:view")

Referenced by add_rosetta_options_1().