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

Namespaces
	grid

Variables
BooleanOptionKey const	ligand
StringOptionKey const	protocol
BooleanOptionKey const	soft_rep
BooleanOptionKey const	tweak_sxfn
BooleanOptionKey const	old_estat
BooleanOptionKey const	random_conformer
IntegerOptionKey const	improve_orientation
BooleanOptionKey const	mutate_same_name3
RealOptionKey const	subset_to_keep
RealOptionKey const	min_rms
IntegerOptionKey const	max_poses
BooleanOptionKey const	minimize_ligand
RealOptionKey const	harmonic_torsions
BooleanOptionKey const	use_ambig_constraints
IntegerOptionKey const	shear_moves
BooleanOptionKey const	minimize_backbone
RealOptionKey const	harmonic_Calphas
RealOptionKey const	tether_ligand
RealVectorOptionKey const	start_from
StringOptionKey const	option_file
RealOptionKey const	ligand_ensemble
IntegerOptionKey const	iphold_cen_cycles
IntegerOptionKey const	iphold_fa_cycles

Variable Documentation

harmonic_Calphas

RealOptionKey const basic::options::OptionKeys::docking::ligand::harmonic_Calphas

extern

Referenced by addcc(), and main().

harmonic_torsions

RealOptionKey const basic::options::OptionKeys::docking::ligand::harmonic_torsions

extern

Referenced by main().

improve_orientation

IntegerOptionKey const basic::options::OptionKeys::docking::ligand::improve_orientation

extern

Referenced by main().

iphold_cen_cycles

IntegerOptionKey const basic::options::OptionKeys::docking::ligand::iphold_cen_cycles

extern

iphold_fa_cycles

IntegerOptionKey const basic::options::OptionKeys::docking::ligand::iphold_fa_cycles

extern

ligand

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

extern

Referenced by docking::ligand::grid::grid(), docking::ligand::grid::grid_kin(), docking::ligand::grid::grid_map(), docking::ligand::harmonic_Calphas(), docking::ligand::harmonic_torsions(), docking::ligand::iphold_cen_cycles(), docking::ligand::iphold_fa_cycles(), docking::ligand::ligand_ensemble(), main(), docking::ligand::max_poses(), docking::ligand::min_rms(), docking::ligand::minimize_backbone(), docking::ligand::minimize_ligand(), docking::ligand::option_file(), docking::ligand::shear_moves(), docking::ligand::start_from(), docking::ligand::subset_to_keep(), docking::ligand::tether_ligand(), and docking::ligand::use_ambig_constraints().

ligand_ensemble

RealOptionKey const basic::options::OptionKeys::docking::ligand::ligand_ensemble

extern

max_poses

IntegerOptionKey const basic::options::OptionKeys::docking::ligand::max_poses

extern

Referenced by go_main(), and main().

min_rms

RealOptionKey const basic::options::OptionKeys::docking::ligand::min_rms

extern

Referenced by compute_intrinsic_deviation(), go_main(), and main().

minimize_backbone

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::minimize_backbone

extern

Referenced by main().

minimize_ligand

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::minimize_ligand

extern

Referenced by main().

mutate_same_name3

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::mutate_same_name3

extern

Referenced by main().

old_estat

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::old_estat

extern

Referenced by main().

option_file

StringOptionKey const basic::options::OptionKeys::docking::ligand::option_file

extern

Referenced by main().

protocol

StringOptionKey const basic::options::OptionKeys::docking::ligand::protocol

extern

Referenced by MembraneRelaxMover::apply(), protocols::jd2::RECONMPIJobDistributor::apply_parsed_protocol(), RelaxJobQueen::complete_larval_job_maturation(), apps::pilot::KicSandbox::KicSandbox(), main(), register_options(), pyrosetta.tests.distributed.test_concurrency.TestConcurrentScripts::test_concurrent_multi_task(), pyrosetta.tests.distributed.test_dask_worker.TestDaskArgs::test_worker_extra(), and pyrosetta.distributed.cluster.multiprocessing::user_protocol().

random_conformer

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::random_conformer

extern

Referenced by main().

shear_moves

IntegerOptionKey const basic::options::OptionKeys::docking::ligand::shear_moves

extern

soft_rep

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::soft_rep

extern

Referenced by main().

start_from

RealVectorOptionKey const basic::options::OptionKeys::docking::ligand::start_from

extern

Referenced by main(), and setup_start_coords().

subset_to_keep

RealOptionKey const basic::options::OptionKeys::docking::ligand::subset_to_keep

extern

Referenced by go_main().

tether_ligand

RealOptionKey const basic::options::OptionKeys::docking::ligand::tether_ligand

extern

tweak_sxfn

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::tweak_sxfn

extern

use_ambig_constraints

BooleanOptionKey const basic::options::OptionKeys::docking::ligand::use_ambig_constraints

extern