basic::options::OptionKeys::magnesium Namespace Reference

Namespaces
	montecarlo

Variables
BooleanOptionKey const	magnesium
BooleanOptionKey const	scan
IntegerVectorOptionKey const	mg_res
BooleanOptionKey const	minimize_during_scoring
ResidueChainVectorOptionKey const	ligand_res
IntegerVectorOptionKey const	pose_ligand_res
BooleanOptionKey const	lores_scan
RealOptionKey const	xyz_step
RealOptionKey const	score_cut
RealOptionKey const	score_cut_PDB
BooleanOptionKey const	integration_test
BooleanOptionKey const	tether_to_closest_res
BooleanOptionKey const	fixup
BooleanOptionKey const	pack_water_hydrogens
BooleanOptionKey const	hydrate
BooleanOptionKey const	monte_carlo
BooleanOptionKey const	scored_hydrogen_sampling
BooleanOptionKey const	all_hydration_frames
BooleanOptionKey const	leave_other_waters
BooleanOptionKey const	minimize
RealOptionKey const	minimize_mg_coord_constraint_distance

Variable Documentation

all_hydration_frames

BooleanOptionKey const basic::options::OptionKeys::magnesium::all_hydration_frames

extern

fixup

BooleanOptionKey const basic::options::OptionKeys::magnesium::fixup

extern

hydrate

BooleanOptionKey const basic::options::OptionKeys::magnesium::hydrate

extern

integration_test

BooleanOptionKey const basic::options::OptionKeys::magnesium::integration_test

extern

Referenced by main(), and SimulateCryoMover::set_integration_test().

leave_other_waters

BooleanOptionKey const basic::options::OptionKeys::magnesium::leave_other_waters

extern

ligand_res

ResidueChainVectorOptionKey const basic::options::OptionKeys::magnesium::ligand_res

extern

Referenced by main().

lores_scan

BooleanOptionKey const basic::options::OptionKeys::magnesium::lores_scan

extern

magnesium

BooleanOptionKey const basic::options::OptionKeys::magnesium::magnesium

extern

Referenced by mg_hires_pdbstats_from_pose(), and mg_modeler_test().

mg_res

IntegerVectorOptionKey const basic::options::OptionKeys::magnesium::mg_res

extern

minimize

BooleanOptionKey const basic::options::OptionKeys::magnesium::minimize

extern

minimize_during_scoring

BooleanOptionKey const basic::options::OptionKeys::magnesium::minimize_during_scoring

extern

minimize_mg_coord_constraint_distance

RealOptionKey const basic::options::OptionKeys::magnesium::minimize_mg_coord_constraint_distance

extern

monte_carlo

BooleanOptionKey const basic::options::OptionKeys::magnesium::monte_carlo

extern

Referenced by stepwise::monte_carlo::add_delete_frequency(), stepwise::monte_carlo::add_proposal_density_factor(), stepwise::monte_carlo::allow_split_off(), stepwise::monte_carlo::allow_submotif_split(), stepwise::monte_carlo::allow_variable_bond_geometry(), stepwise::monte_carlo::csa::annealing(), NativeEnsemble::apply(), stepwise::monte_carlo::checkpointing_frequency(), StepWiseJobQueen::complete_larval_job_maturation(), stepwise::monte_carlo::continue_until_none_missing(), stepwise::monte_carlo::csa::csa(), stepwise::monte_carlo::csa::csa_bank_size(), stepwise::monte_carlo::csa::csa_output_rounds(), stepwise::monte_carlo::csa::csa_rmsd(), stepwise::monte_carlo::cycles(), stepwise::monte_carlo::designing_with_noncanonicals(), stepwise::monte_carlo::docking_frequency(), stepwise::monte_carlo::exclude_submotifs(), stepwise::monte_carlo::force_submotif_without_intervening_bulge(), stepwise::monte_carlo::from_scratch_frequency(), stepwise::monte_carlo::full_model_constraints(), stepwise::monte_carlo::intermolecular_frequency(), stepwise::monte_carlo::just_min_after_mutation_frequency(), stepwise::monte_carlo::local_redock_only(), main(), stepwise::monte_carlo::make_movie(), stepwise::monte_carlo::minimize_single_res_frequency(), pack_phosphates(), stepwise::monte_carlo::recover_low(), resample_full_model_test(), SamplingManager::SamplingManager(), stepwise::monte_carlo::skip_bulge_frequency(), stepwise_monte_carlo_legacy(), stepwise::monte_carlo::submotif_frequency(), stepwise::monte_carlo::switch_focus_frequency(), stepwise::monte_carlo::temperature(), SamplingManager::update(), stepwise::monte_carlo::use_first_jump_for_submotif(), stepwise::monte_carlo::use_precomputed_library(), and stepwise::monte_carlo::vary_loop_length_frequency().

pack_water_hydrogens

BooleanOptionKey const basic::options::OptionKeys::magnesium::pack_water_hydrogens

extern

pose_ligand_res

IntegerVectorOptionKey const basic::options::OptionKeys::magnesium::pose_ligand_res

extern

scan

BooleanOptionKey const basic::options::OptionKeys::magnesium::scan

extern

score_cut

RealOptionKey const basic::options::OptionKeys::magnesium::score_cut

extern

Referenced by apply_all_frags(), rebuild_centroid_test(), and ConsensusFragmentMover::run().

score_cut_PDB

RealOptionKey const basic::options::OptionKeys::magnesium::score_cut_PDB

extern

scored_hydrogen_sampling

BooleanOptionKey const basic::options::OptionKeys::magnesium::scored_hydrogen_sampling

extern

tether_to_closest_res

BooleanOptionKey const basic::options::OptionKeys::magnesium::tether_to_closest_res

extern

xyz_step

RealOptionKey const basic::options::OptionKeys::magnesium::xyz_step

extern