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

Namespaces
	ligand

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
StringOptionKey const	docking_low_res_score
BooleanOptionKey const	randomize1
BooleanOptionKey const	randomize2
BooleanOptionKey const	use_ellipsoidal_randomization
BooleanOptionKey const	spin
RealVectorOptionKey const	tilt
StringOptionKey const	tilt1_center
StringOptionKey const	tilt2_center
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
RealOptionKey const	SymDock_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
BooleanOptionKey const	enable_pymol_viewer
BooleanOptionKey const	SymDock_reduce_motif_dock_weights
RealOptionKey const	SymDock_fa_rep_max
RealOptionKey const	SymDock_fa_sol_max

Variable Documentation

bb_min_res

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

extern

center_at_interface

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

extern

design_chains

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

extern

dock_lowres_filter

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

extern

dock_mcm_first_cycles

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

extern

dock_mcm_rot_magnitude

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

extern

dock_mcm_second_cycles

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

extern

dock_mcm_trans_magnitude

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

extern

dock_min

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

extern

dock_pert

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

extern

Referenced by main().

dock_ppk

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

extern

dock_rtmin

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

extern

docking

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

extern

Referenced by MPFindInterfaceTestMover::apply(), MPInterfaceStatistics::apply(), CenRotRBRelaxMover::init(), CenRotDockingMover::init(), main(), and my_main().

docking_centroid_inner_cycles

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

extern

docking_centroid_outer_cycles

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

extern

docking_local_refine

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

extern

Referenced by abbinding::init_options().

docking_low_res_score

StringOptionKey const basic::options::OptionKeys::docking::docking_low_res_score

extern

docklowres_rot_magnitude

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

extern

docklowres_trans_magnitude

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

extern

enable_pymol_viewer

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

extern

ensemble1

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

extern

Referenced by main().

ensemble2

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

extern

Referenced by main().

extra_rottrial

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

extern

flexible_bb_docking

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

extern

flexible_bb_docking_interface_dist

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

extern

high_min_patch

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

extern

high_patch

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

extern

ignore_default_docking_task

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

extern

kick_relax

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

extern

low_patch

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

extern

Referenced by main().

low_res_protocol_only

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

extern

max_repeats

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

extern

minimization_threshold

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

extern

multibody

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

extern

Referenced by main(), and my_main().

no_filters

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

extern

Referenced by main().

norepack1

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

extern

norepack2

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

extern

pack_patch

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

extern

partners

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

extern

Referenced by DockGlycansProtocol::apply(), MPFindInterfaceTestMover::apply(), MPInterfaceStatistics::get_number_hbonds(), CenRotRBRelaxMover::init(), CenRotDockingMover::init(), MPInterfaceStatistics::init_from_cmd(), abbinding::init_options(), PhDocking::init_options(), main(), abbinding::partners_from_info(), and MPInterfaceStatistics::register_options().

randomize1

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

extern

randomize2

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

extern

Referenced by main().

recover_sidechains

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

extern

repack_period

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

extern

Referenced by main().

sc_min

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

extern

sc_min_res

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

extern

spin

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

extern

Referenced by MPFindInterfaceTestMover::apply().

SymDock_fa_rep_max

RealOptionKey const basic::options::OptionKeys::docking::SymDock_fa_rep_max

extern

SymDock_fa_sol_max

RealOptionKey const basic::options::OptionKeys::docking::SymDock_fa_sol_max

extern

SymDock_lowres_filter

RealOptionKey const basic::options::OptionKeys::docking::SymDock_lowres_filter

extern

SymDock_reduce_motif_dock_weights

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

extern

temperature

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

extern

tilt

RealVectorOptionKey const basic::options::OptionKeys::docking::tilt

extern

Referenced by MPFindInterfaceTestMover::apply().

tilt1_center

StringOptionKey const basic::options::OptionKeys::docking::tilt1_center

extern

tilt2_center

StringOptionKey const basic::options::OptionKeys::docking::tilt2_center

extern

uniform_trans

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

extern

Referenced by main().

use_ellipsoidal_randomization

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

extern

use_legacy_protocol

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

extern

view

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

extern