ddg Namespace Reference

Functions
BooleanOptionKey const	ddg ("ddg")
BooleanOptionKey const	avg_rot_cst_enrg ("ddg:avg_rot_cst_enrg")
BooleanOptionKey const	use_bound_cst ("ddg:use_bound_cst")
RealOptionKey const	cap_rot_cst_enrg ("ddg:cap_rot_cst_enrg")
BooleanOptionKey const	opt_input_structure ("ddg:opt_input_structure")
BooleanOptionKey const	pack_until_converge ("ddg:pack_until_converge")
BooleanOptionKey const	no_constraints ("ddg:no_constraints")
RealOptionKey const	apply_rot_cst_to_mutation_region_only ("ddg:apply_rot_cst_to_mutation_region_only")
RealOptionKey const	rot_cst_enrg_cutoff ("ddg:rot_cst_enrg_cutoff")
BooleanOptionKey const	use_rotamer_constraints_to_native ("ddg:use_rotamer_constraints_to_native")
BooleanOptionKey const	single_res_scoring ("ddg:single_res_scoring")
BooleanOptionKey const	downweight_by_sasa ("ddg:downweight_by_sasa")
BooleanOptionKey const	global ("ddg:global")
BooleanOptionKey const	exclude_solvent_exposed_res ("ddg:exclude_solvent_exposed_res")
RealOptionKey const	radius ("ddg:radius")
StringOptionKey const	wt ("ddg:wt")
StringOptionKey const	mut ("ddg:mut")
BooleanOptionKey const	suppress_checkpointing ("ddg:suppress_checkpointing")
BooleanOptionKey const	wt_only ("ddg:wt_only")
BooleanOptionKey const	mut_only ("ddg:mut_only")
BooleanOptionKey const	output_silent ("ddg:output_silent")
StringOptionKey const	minimization_scorefunction ("ddg:minimization_scorefunction")
StringOptionKey const	minimization_patch ("ddg:minimization_patch")
BooleanOptionKey const	min_cst ("ddg:min_cst")
IntegerOptionKey const	lowest_x_decoys ("ddg:lowest_x_decoys")
BooleanOptionKey const	local_opt_only ("ddg:local_opt_only")
BooleanOptionKey const	print_per_res_diff ("ddg:print_per_res_diff")
BooleanOptionKey const	mean ("ddg:mean")
BooleanOptionKey const	min ("ddg:min")
BooleanOptionKey const	rb_restrict_to_mutsite_nbrs ("ddg:rb_restrict_to_mutsite_nbrs")
BooleanOptionKey const	no_bb_movement ("ddg:no_bb_movement")
BooleanOptionKey const	initial_repack ("ddg:initial_repack")
StringOptionKey const	rb_file ("ddg:rb_file")
IntegerOptionKey const	interface_ddg ("ddg:interface_ddg")
RealOptionKey const	ens_variation ("ddg:ens_variation")
BooleanOptionKey const	sc_min_only ("ddg:sc_min_only")
StringOptionKey const	min_cst_weights ("ddg:min_cst_weights")
RealOptionKey const	opt_radius ("ddg:opt_radius")
StringOptionKey const	output_dir ("ddg:output_dir")
StringOptionKey const	last_accepted_pose_dir ("ddg:last_accepted_pose_dir")
BooleanOptionKey const	min_with_cst ("ddg:min_with_cst")
RealOptionKey const	temperature ("ddg:temperature")
BooleanOptionKey const	ramp_repulsive ("ddg:ramp_repulsive")
StringOptionKey const	mut_file ("ddg:mut_file")
StringOptionKey const	out_pdb_prefix ("ddg:out_pdb_prefix")
RealOptionKey const	constraint_weight ("ddg:constraint_weight")
RealOptionKey const	harmonic_ca_tether ("ddg:harmonic_ca_tether")
IntegerOptionKey const	iterations ("ddg:iterations")
StringOptionKey const	out ("ddg:out")
BooleanOptionKey const	debug_output ("ddg:debug_output")
BooleanOptionKey const	dump_pdbs ("ddg:dump_pdbs")
StringOptionKey const	weight_file ("ddg:weight_file")
IntegerOptionKey const	translate_by ("ddg:translate_by")

Function Documentation

RealOptionKey const ddg::apply_rot_cst_to_mutation_region_only

(

"ddg:apply_rot_cst_to_mutation_region_only"

)

BooleanOptionKey const ddg::avg_rot_cst_enrg

(

"ddg:avg_rot_cst_enrg"

)

RealOptionKey const ddg::cap_rot_cst_enrg

(

"ddg:cap_rot_cst_enrg"

)

RealOptionKey const ddg::constraint_weight

(

"ddg:constraint_weight"

)

BooleanOptionKey const ddg::ddg

(

"ddg"

)

BooleanOptionKey const ddg::debug_output

(

"ddg:debug_output"

)

BooleanOptionKey const ddg::downweight_by_sasa

(

"ddg:downweight_by_sasa"

)

BooleanOptionKey const ddg::dump_pdbs

(

"ddg:dump_pdbs"

)

RealOptionKey const ddg::ens_variation

(

"ddg:ens_variation"

)

BooleanOptionKey const ddg::exclude_solvent_exposed_res

(

"ddg:exclude_solvent_exposed_res"

)

BooleanOptionKey const ddg::global

(

"ddg:global"

)

RealOptionKey const ddg::harmonic_ca_tether

(

"ddg:harmonic_ca_tether"

)

BooleanOptionKey const ddg::initial_repack

(

"ddg:initial_repack"

)

IntegerOptionKey const ddg::interface_ddg

(

"ddg:interface_ddg"

)

IntegerOptionKey const ddg::iterations

(

"ddg:iterations"

)

StringOptionKey const ddg::last_accepted_pose_dir

(

"ddg:last_accepted_pose_dir"

)

BooleanOptionKey const ddg::local_opt_only

(

"ddg:local_opt_only"

)

IntegerOptionKey const ddg::lowest_x_decoys

(

"ddg:lowest_x_decoys"

)

BooleanOptionKey const ddg::mean

(

"ddg:mean"

)

BooleanOptionKey const ddg::min

(

"ddg:min"

)

BooleanOptionKey const ddg::min_cst

(

"ddg:min_cst"

)

StringOptionKey const ddg::min_cst_weights

(

"ddg:min_cst_weights"

)

BooleanOptionKey const ddg::min_with_cst

(

"ddg:min_with_cst"

)

StringOptionKey const ddg::minimization_patch

(

"ddg:minimization_patch"

)

StringOptionKey const ddg::minimization_scorefunction

(

"ddg:minimization_scorefunction"

)

StringOptionKey const ddg::mut

(

"ddg:mut"

)

StringOptionKey const ddg::mut_file

(

"ddg:mut_file"

)

BooleanOptionKey const ddg::mut_only

(

"ddg:mut_only"

)

BooleanOptionKey const ddg::no_bb_movement

(

"ddg:no_bb_movement"

)

BooleanOptionKey const ddg::no_constraints

(

"ddg:no_constraints"

)

BooleanOptionKey const ddg::opt_input_structure

(

"ddg:opt_input_structure"

)

RealOptionKey const ddg::opt_radius

(

"ddg:opt_radius"

)

StringOptionKey const ddg::out

(

"ddg:out"

)

StringOptionKey const ddg::out_pdb_prefix

(

"ddg:out_pdb_prefix"

)

StringOptionKey const ddg::output_dir

(

"ddg:output_dir"

)

BooleanOptionKey const ddg::output_silent

(

"ddg:output_silent"

)

BooleanOptionKey const ddg::pack_until_converge

(

"ddg:pack_until_converge"

)

BooleanOptionKey const ddg::print_per_res_diff

(

"ddg:print_per_res_diff"

)

RealOptionKey const ddg::radius

(

"ddg:radius"

)

BooleanOptionKey const ddg::ramp_repulsive

(

"ddg:ramp_repulsive"

)

StringOptionKey const ddg::rb_file

(

"ddg:rb_file"

)

BooleanOptionKey const ddg::rb_restrict_to_mutsite_nbrs

(

"ddg:rb_restrict_to_mutsite_nbrs"

)

RealOptionKey const ddg::rot_cst_enrg_cutoff

(

"ddg:rot_cst_enrg_cutoff"

)

BooleanOptionKey const ddg::sc_min_only

(

"ddg:sc_min_only"

)

BooleanOptionKey const ddg::single_res_scoring

(

"ddg:single_res_scoring"

)

BooleanOptionKey const ddg::suppress_checkpointing

(

"ddg:suppress_checkpointing"

)

RealOptionKey const ddg::temperature

(

"ddg:temperature"

)

IntegerOptionKey const ddg::translate_by

(

"ddg:translate_by"

)

BooleanOptionKey const ddg::use_bound_cst

(

"ddg:use_bound_cst"

)

BooleanOptionKey const ddg::use_rotamer_constraints_to_native

(

"ddg:use_rotamer_constraints_to_native"

)

StringOptionKey const ddg::weight_file

(

"ddg:weight_file"

)

StringOptionKey const ddg::wt

(

"ddg:wt"

)

BooleanOptionKey const ddg::wt_only

(

"ddg:wt_only"

)