packing Namespace Reference

Namespaces
	ex1
	ex1aro
	ex1aro_exposed
	ex2
	ex2aro
	ex2aro_exposed
	ex3
	ex4
	exdna

Functions
BooleanOptionKey const	packing ("packing")
BooleanOptionKey const	repack_only ("packing:repack_only")
BooleanOptionKey const	prevent_repacking ("packing:prevent_repacking")
RealOptionKey const	cenrot_cutoff ("packing:cenrot_cutoff")
BooleanOptionKey const	ignore_ligand_chi ("packing:ignore_ligand_chi")
IntegerOptionKey const	ndruns ("packing:ndruns")
BooleanOptionKey const	soft_rep_design ("packing:soft_rep_design")
RealOptionKey const	mainchain_h_rebuild_threshold ("packing:mainchain_h_rebuild_threshold")
BooleanOptionKey const	use_electrostatic_repulsion ("packing:use_electrostatic_repulsion")
BooleanOptionKey const	dump_rotamer_sets ("packing:dump_rotamer_sets")
RealOptionKey const	dunbrack_prob_buried ("packing:dunbrack_prob_buried")
RealOptionKey const	dunbrack_prob_nonburied ("packing:dunbrack_prob_nonburied")
BooleanOptionKey const	no_optH ("packing:no_optH")
BooleanOptionKey const	optH_MCA ("packing:optH_MCA")
BooleanOptionKey const	pack_missing_sidechains ("packing:pack_missing_sidechains")
BooleanOptionKey const	preserve_c_beta ("packing:preserve_c_beta")
BooleanOptionKey const	flip_HNQ ("packing:flip_HNQ")
IntegerVectorOptionKey const	fix_his_tautomer ("packing:fix_his_tautomer")
BooleanOptionKey const	print_pymol_selection ("packing:print_pymol_selection")
IntegerOptionKey const	extrachi_cutoff ("packing:extrachi_cutoff")
FileVectorOptionKey const	resfile ("packing:resfile")
RealOptionKey const	outeriterations_scaling ("packing:outeriterations_scaling")
RealOptionKey const	inneriterations_scaling ("packing:inneriterations_scaling")
StringVectorOptionKey const	adducts ("packing:adducts")
BooleanOptionKey const	use_input_sc ("packing:use_input_sc")
FileVectorOptionKey const	unboundrot ("packing:unboundrot")
RealOptionKey const	max_rotbump_energy ("packing:max_rotbump_energy")
BooleanOptionKey const	lazy_ig ("packing:lazy_ig")
BooleanOptionKey const	double_lazy_ig ("packing:double_lazy_ig")
IntegerOptionKey const	linmem_ig ("packing:linmem_ig")
IntegerOptionKey const	multi_cool_annealer ("packing:multi_cool_annealer")
RealVectorOptionKey const	minpack_temp_schedule ("packing:minpack_temp_schedule")
IntegerOptionKey const	minpack_inner_iteration_scale ("packing:minpack_inner_iteration_scale")
BooleanOptionKey const	minpack_disable_bumpcheck ("packing:minpack_disable_bumpcheck")

Function Documentation

StringVectorOptionKey const packing::adducts

(

"packing:adducts"

)

RealOptionKey const packing::cenrot_cutoff

(

"packing:cenrot_cutoff"

)

BooleanOptionKey const packing::double_lazy_ig

(

"packing:double_lazy_ig"

)

BooleanOptionKey const packing::dump_rotamer_sets

(

"packing:dump_rotamer_sets"

)

RealOptionKey const packing::dunbrack_prob_buried

(

"packing:dunbrack_prob_buried"

)

RealOptionKey const packing::dunbrack_prob_nonburied

(

"packing:dunbrack_prob_nonburied"

)

IntegerOptionKey const packing::extrachi_cutoff

(

"packing:extrachi_cutoff"

)

Referenced by main().

IntegerVectorOptionKey const packing::fix_his_tautomer

(

"packing:fix_his_tautomer"

)

BooleanOptionKey const packing::flip_HNQ

(

"packing:flip_HNQ"

)

Referenced by main().

BooleanOptionKey const packing::ignore_ligand_chi

(

"packing:ignore_ligand_chi"

)

RealOptionKey const packing::inneriterations_scaling

(

"packing:inneriterations_scaling"

)

BooleanOptionKey const packing::lazy_ig

(

"packing:lazy_ig"

)

IntegerOptionKey const packing::linmem_ig

(

"packing:linmem_ig"

)

RealOptionKey const packing::mainchain_h_rebuild_threshold

(

"packing:mainchain_h_rebuild_threshold"

)

RealOptionKey const packing::max_rotbump_energy

(

"packing:max_rotbump_energy"

)

BooleanOptionKey const packing::minpack_disable_bumpcheck

(

"packing:minpack_disable_bumpcheck"

)

IntegerOptionKey const packing::minpack_inner_iteration_scale

(

"packing:minpack_inner_iteration_scale"

)

RealVectorOptionKey const packing::minpack_temp_schedule

(

"packing:minpack_temp_schedule"

)

IntegerOptionKey const packing::multi_cool_annealer

(

"packing:multi_cool_annealer"

)

IntegerOptionKey const packing::ndruns

(

"packing:ndruns"

)

BooleanOptionKey const packing::no_optH

(

"packing:no_optH"

)

Referenced by main().

BooleanOptionKey const packing::optH_MCA

(

"packing:optH_MCA"

)

RealOptionKey const packing::outeriterations_scaling

(

"packing:outeriterations_scaling"

)

BooleanOptionKey const packing::pack_missing_sidechains

(

"packing:pack_missing_sidechains"

)

BooleanOptionKey const packing::packing

(

"packing"

)

BooleanOptionKey const packing::preserve_c_beta

(

"packing:preserve_c_beta"

)

BooleanOptionKey const packing::prevent_repacking

(

"packing:prevent_repacking"

)

BooleanOptionKey const packing::print_pymol_selection

(

"packing:print_pymol_selection"

)

BooleanOptionKey const packing::repack_only

(

"packing:repack_only"

)

FileVectorOptionKey const packing::resfile

(

"packing:resfile"

)

Referenced by CoupledMovesProtocol::CoupledMovesProtocol(), main(), and sequence_tolerance_main().

BooleanOptionKey const packing::soft_rep_design

(

"packing:soft_rep_design"

)

FileVectorOptionKey const packing::unboundrot

(

"packing:unboundrot"

)

Referenced by main().

BooleanOptionKey const packing::use_electrostatic_repulsion

(

"packing:use_electrostatic_repulsion"

)

BooleanOptionKey const packing::use_input_sc

(

"packing:use_input_sc"

)