coupled_moves Namespace Reference

Functions
BooleanOptionKey const	coupled_moves ("coupled_moves")
IntegerOptionKey const	ntrials ("coupled_moves:ntrials")
IntegerOptionKey const	number_ligands ("coupled_moves:number_ligands")
RealOptionKey const	mc_kt ("coupled_moves:mc_kt")
RealOptionKey const	boltzmann_kt ("coupled_moves:boltzmann_kt")
RealOptionKey const	mm_bend_weight ("coupled_moves:mm_bend_weight")
BooleanOptionKey const	trajectory ("coupled_moves:trajectory")
BooleanOptionKey const	trajectory_gz ("coupled_moves:trajectory_gz")
IntegerOptionKey const	trajectory_stride ("coupled_moves:trajectory_stride")
StringOptionKey const	trajectory_file ("coupled_moves:trajectory_file")
StringOptionKey const	output_fasta ("coupled_moves:output_fasta")
StringOptionKey const	output_stats ("coupled_moves:output_stats")
BooleanOptionKey const	ligand_mode ("coupled_moves:ligand_mode")
BooleanOptionKey const	initial_repack ("coupled_moves:initial_repack")
BooleanOptionKey const	min_pack ("coupled_moves:min_pack")
BooleanOptionKey const	save_sequences ("coupled_moves:save_sequences")
BooleanOptionKey const	save_structures ("coupled_moves:save_structures")
RealOptionKey const	ligand_prob ("coupled_moves:ligand_prob")
BooleanOptionKey const	fix_backbone ("coupled_moves:fix_backbone")
BooleanOptionKey const	uniform_backrub ("coupled_moves:uniform_backrub")
BooleanOptionKey const	bias_sampling ("coupled_moves:bias_sampling")
BooleanOptionKey const	bump_check ("coupled_moves:bump_check")
RealOptionKey const	ligand_weight ("coupled_moves:ligand_weight")
StringOptionKey const	output_prefix ("coupled_moves:output_prefix")
RealOptionKey const	walking_perturber_magnitude ("coupled_moves:walking_perturber_magnitude")
RealOptionKey const	kic_loop_size ("coupled_moves:kic_loop_size")
StringOptionKey const	kic_perturber ("coupled_moves:kic_perturber")
StringOptionKey const	backbone_mover ("coupled_moves:backbone_mover")
BooleanOptionKey const	repack_neighborhood ("coupled_moves:repack_neighborhood")
BooleanOptionKey const	exclude_nonclashing_positions ("coupled_moves:exclude_nonclashing_positions")

Function Documentation

backbone_mover()

StringOptionKey const coupled_moves::backbone_mover

(

"coupled_moves:backbone_mover"

)

bias_sampling()

BooleanOptionKey const coupled_moves::bias_sampling

(

"coupled_moves:bias_sampling"

)

Referenced by main().

boltzmann_kt()

RealOptionKey const coupled_moves::boltzmann_kt

(

"coupled_moves:boltzmann_kt"

)

Referenced by main().

bump_check()

BooleanOptionKey const coupled_moves::bump_check

(

"coupled_moves:bump_check"

)

Referenced by main().

coupled_moves()

BooleanOptionKey const coupled_moves::coupled_moves

(

"coupled_moves"

)

exclude_nonclashing_positions()

BooleanOptionKey const coupled_moves::exclude_nonclashing_positions

(

"coupled_moves:exclude_nonclashing_positions"

)

fix_backbone()

BooleanOptionKey const coupled_moves::fix_backbone

(

"coupled_moves:fix_backbone"

)

Referenced by main().

initial_repack()

BooleanOptionKey const coupled_moves::initial_repack

(

"coupled_moves:initial_repack"

)

Referenced by main().

kic_loop_size()

RealOptionKey const coupled_moves::kic_loop_size

(

"coupled_moves:kic_loop_size"

)

kic_perturber()

StringOptionKey const coupled_moves::kic_perturber

(

"coupled_moves:kic_perturber"

)

ligand_mode()

BooleanOptionKey const coupled_moves::ligand_mode

(

"coupled_moves:ligand_mode"

)

Referenced by main().

ligand_prob()

RealOptionKey const coupled_moves::ligand_prob

(

"coupled_moves:ligand_prob"

)

Referenced by main().

ligand_weight()

RealOptionKey const coupled_moves::ligand_weight

(

"coupled_moves:ligand_weight"

)

Referenced by main().

mc_kt()

RealOptionKey const coupled_moves::mc_kt

(

"coupled_moves:mc_kt"

)

Referenced by main().

min_pack()

BooleanOptionKey const coupled_moves::min_pack

(

"coupled_moves:min_pack"

)

Referenced by main().

mm_bend_weight()

RealOptionKey const coupled_moves::mm_bend_weight

(

"coupled_moves:mm_bend_weight"

)

Referenced by main().

ntrials()

IntegerOptionKey const coupled_moves::ntrials

(

"coupled_moves:ntrials"

)

Referenced by main().

number_ligands()

IntegerOptionKey const coupled_moves::number_ligands

(

"coupled_moves:number_ligands"

)

output_fasta()

StringOptionKey const coupled_moves::output_fasta

(

"coupled_moves:output_fasta"

)

Referenced by main().

output_prefix()

StringOptionKey const coupled_moves::output_prefix

(

"coupled_moves:output_prefix"

)

Referenced by main().

output_stats()

StringOptionKey const coupled_moves::output_stats

(

"coupled_moves:output_stats"

)

Referenced by main().

repack_neighborhood()

BooleanOptionKey const coupled_moves::repack_neighborhood

(

"coupled_moves:repack_neighborhood"

)

save_sequences()

BooleanOptionKey const coupled_moves::save_sequences

(

"coupled_moves:save_sequences"

)

Referenced by main().

save_structures()

BooleanOptionKey const coupled_moves::save_structures

(

"coupled_moves:save_structures"

)

Referenced by main().

trajectory()

BooleanOptionKey const coupled_moves::trajectory

(

"coupled_moves:trajectory"

)

Referenced by main().

trajectory_file()

StringOptionKey const coupled_moves::trajectory_file

(

"coupled_moves:trajectory_file"

)

Referenced by main().

trajectory_gz()

BooleanOptionKey const coupled_moves::trajectory_gz

(

"coupled_moves:trajectory_gz"

)

Referenced by main().

trajectory_stride()

IntegerOptionKey const coupled_moves::trajectory_stride

(

"coupled_moves:trajectory_stride"

)

Referenced by main().

uniform_backrub()

BooleanOptionKey const coupled_moves::uniform_backrub

(

"coupled_moves:uniform_backrub"

)

Referenced by main().

walking_perturber_magnitude()

RealOptionKey const coupled_moves::walking_perturber_magnitude

(

"coupled_moves:walking_perturber_magnitude"

)