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protocols::flexpack::rotamer_set::FlexbbRotamerSets Class Reference

#include <FlexbbRotamerSets.hh>

Inheritance diagram for protocols::flexpack::rotamer_set::FlexbbRotamerSets:
Inheritance graph
[legend]

Public Types

typedef core::Size Size
 
typedef core::PackerEnergy PackerEnergy
 
typedef core::pose::Pose Pose
 
typedef
core::scoring::ScoreFunction 
ScoreFunction
 
typedef
core::scoring::methods::LongRangeTwoBodyEnergy 
LongRangeTwoBodyEnergy
 
typedef
core::pack::task::PackerTaskCOP 
PackerTaskCOP
 

Public Member Functions

 FlexbbRotamerSets (PackerTaskCOP task)
 
 ~FlexbbRotamerSets () override
 
FlexbbRotamerSetsCOP get_self_ptr () const
 
FlexbbRotamerSetsOP get_self_ptr ()
 
FlexbbRotamerSetsCAP get_self_weak_ptr () const
 
FlexbbRotamerSetsAP get_self_weak_ptr ()
 
void set_frames (Pose const &pose, utility::vector1< core::fragment::FrameCOP > const &frames)
 function to set up the internal mapping data structures More...
 
utility::graph::GraphOP flexpack_neighbor_graph (Pose const &pose, ScoreFunction const &sfxn, PackerTaskCOP task) const
 function to figure out the flexpack neighbor graph, see core::pack::create_packer_graph for fixbb version More...
 
core::Distance determine_res_cb_deviation (Pose const &pose, core::Size resid) const
 function to determine the maximum deviation in the position of Cbs for the bbconfs of one residue This should use the "neighbor atom" instead of CB... CB exist for neither GLY nor non-protein residues. More...
 
void build_rotamers (Pose const &pose, ScoreFunction const &sfxn, utility::graph::Graph const &flexpack_neighbor_graph)
 
void dump_pdbs (core::pose::Pose const &pose, std::string const &filename_base) const
 function to dump all the rotamer sets out to pdb files, more or less only used for debugging More...
 
void precompute_energies (Pose const &pose, ScoreFunction const &sfxn, utility::graph::GraphCOP flexpack_neighbor_graph, interaction_graph::FlexbbInteractionGraph &flexbb_ig) const
 
void precompute_all_energies (Pose const &pose, ScoreFunction const &sfxn, utility::graph::GraphCOP flexpack_neighbor_graph, interaction_graph::PrecomputedFlexbbInteractionGraph &flexbb_ig) const
 
void compute_one_body_energies_for_otf_ig (Pose const &pose, ScoreFunction const &sfxn, utility::graph::GraphCOP flexpack_neighbor_graph, interaction_graph::OTFFlexbbInteractionGraph &flexbb_ig) const
 
core::uint nrotamers () const override
 Virtual functions from base class. More...
 
core::uint nrotamers_for_moltenres (core::uint) const override
 
core::uint nmoltenres () const override
 
core::uint total_residue () const override
 
core::uint moltenres_2_resid (core::uint) const override
 
core::uint resid_2_moltenres (core::uint) const override
 
core::uint moltenres_for_rotamer (core::uint) const override
 
core::uint res_for_rotamer (core::uint) const override
 
core::conformation::ResidueCOP rotamer (core::uint) const override
 
core::conformation::ResidueCOP rotamer_for_moltenres (core::uint moltenres_id, core::uint rotamerid) const override
 
core::uint nrotamer_offset_for_moltenres (core::uint) const override
 
core::uint rotid_on_moltenresidue (core::uint rotid) const override
 convert rotid in full rotamer enumeration into rotamer id on its source residue More...
 
core::uint moltenres_rotid_2_rotid (core::uint moltenres, core::uint moltenresrotid) const override
 convert moltenres rotid to id in full rotamer enumeration More...
 
core::Size nmolten_res () const
 
core::Size nrotamers_for_res (core::Size resid) const
 The total number of rotamers across all residues and all backbone conformations. More...
 
core::Size nbbconfs_for_moltenres (core::Size moltenres) const
 
core::Size nbbconfs_for_flexseg (core::Size flex_segment_id) const
 
core::Size nbackbone_conformations () const
 the "total" number of backbone conformations, counting the input conformation for all flexible segments (but not counting the input conformation for residues with only a single backbone conformation) More...
 
core::Size nbbconfs_for_res (core::Size resid) const
 
utility::vector1< core::Size >
const & 
num_states_per_backbone_for_moltenres (core::Size moltenres) const
 
core::Size nrotamers_for_moltenres_in_bbconf (core::Size moltenres, core::Size bbconf) const
 
core::Size nrotamers_for_resid_in_bbconf (core::Size resid, core::Size bbconf) const
 
core::Size global_rotid_start_for_moltenres_in_bbconf (core::Size moltenres, core::Size bbconf) const
 
core::Size local_rotid_start_for_moltenres_in_bbconf (core::Size moltenres, core::Size bbconf) const
 
core::Size local_rotid_for_rotamer_on_moltenres (core::Size moltenres, core::Size rotamer_id) const
 Input: rotid in global enumeration, Output rotid in local enumeration. More...
 
core::Size local_rotid_for_rotamer (core::Size rotamer_id) const
 
core::Size nflexible_segments () const
 
core::Size flexsegment_start_moltenresid (core::Size flex_segment_id) const
 
core::Size flexsegment_stop_moltenresid (core::Size flex_segment_id) const
 
core::Size flexsegment_size (core::Size flex_segment_id) const
 
core::Size flexsegment_start_resid (core::Size flex_segment_id) const
 
core::Size flexsegment_stop_resid (core::Size flex_segment_id) const
 
core::Size flexsegid_for_moltenres (core::Size molten_resid) const
 
core::Size flexsegid_for_res (core::Size resid) const
 
bool moltenres_part_of_flexsegment (core::Size molten_resid) const
 
bool res_part_of_flexsegment (core::Size resid) const
 
FlexbbRotamerSetCOP rotset_for_moltenres (core::Size molten_resid, core::Size bbconf=1) const
 
FlexbbRotamerSetCOP rotset_for_residue (core::Size resid, core::Size bbconf=1) const
 
core::conformation::ResidueCOP rotamer_for_residue (core::Size resid, core::Size rotindex_on_residue) const
 Rotamer indexed locally. More...
 
core::conformation::Residue const & backbone_for_resid_bbconf (core::Size resid, core::Size bbconf) const
 Rotamer indexed locally. More...
 
core::conformation::Residue const & backbone_for_moltenres_bbconf (core::Size moltenres, core::Size bbconf) const
 
core::Size bbconf_for_rotamer (core::Size rotamer_id) const
 rotamer_id in the global enumeration of rotamers. More...
 
core::Size bbconf_for_rotamer_on_moltenres (core::Size moltenres, core::Size rotamer_id) const
 
bool rotamers_on_same_bbconf (core::Size moltenres, core::Size rot1, core::Size rot2) const
 Do two rotamers originate from the same backbone conformation? Local enumeration for both rot1 and rot2; rot1 and rot2 must be rotamers of the same molten residue. More...
 
void initialize_pose_for_rotsets_creation (core::pose::Pose &) const override
 Give the pose a chance to stash any data needed by the rotset need nonconst access to pose. More...
 
void show (std::ostream &out) const override
 
- Public Member Functions inherited from core::pack_basic::RotamerSetsBase
 RotamerSetsBase ()
 
 ~RotamerSetsBase () override
 

Protected Member Functions

void build_residue_vector_from_fragment (Pose &pose, core::fragment::FrameCOP frame, core::Size frag_num, utility::vector1< core::conformation::ResidueOP > &fragment_res)
 

Private Member Functions

void update_offset_data ()
 
void compute_sr_one_body_energies_for_flexsets (core::Size lowermoltenres, core::Size uppermoltenres, utility::vector1< utility::vector1< core::Size > > const &regular_representatives, utility::vector1< utility::vector1< core::Size > > const &proline_representatives, utility::vector1< utility::vector1< core::Size > > const &glycine_representatives, Pose const &pose, ScoreFunction const &sfxn, interaction_graph::OTFFlexbbInteractionGraph &flexbb_ig) const
 
void compute_onebody_interactions_with_background (core::Size moltenres, Pose const &pose, ScoreFunction const &sfxn, utility::graph::GraphCOP flexpack_neighbor_graph, interaction_graph::FlexbbInteractionGraph &flexbb_ig) const
 

Private Attributes

core::Size nmoltenres_
 
core::Size total_residue_
 
core::Size nbbconfs_
 
PackerTaskCOP task_
 
utility::vector1
< utility::vector1
< rotamer_set::FlexbbRotamerSetOP > > 
rotamers_
 
core::Size nrotamers_
 
utility::vector1< core::Sizenrotamers_for_moltenres_
 
utility::vector1< core::Sizemoltenres_2_resid_
 
utility::vector1< core::Sizeresid_2_moltenres_
 
utility::vector1< core::Sizemoltenres_for_rotamer_
 
utility::vector1
< utility::vector1< core::Size > > 
bbconf_for_rotamer_of_moltenres_
 
utility::vector1
< utility::vector1
< core::conformation::ResidueCOP > > 
conformations_for_flexible_segments_
 
utility::vector1< std::pair
< core::Size, core::Size > > 
flexsegment_span_
 
utility::vector1< core::Sizenbbconfs_for_flexseg_
 
utility::vector1< core::Sizemoltenres_2_flexseg_
 
utility::vector1< core::Sizenrotoffset_for_moltenres_
 
utility::vector1
< utility::vector1< core::Size > > 
nrots_for_moltenres_bbconf_
 
utility::vector1
< utility::vector1< core::Size > > 
nrotoffset_for_moltenres_bbconf_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::flexpack::rotamer_set::FlexbbRotamerSets::FlexbbRotamerSets ( PackerTaskCOP  task)
protocols::flexpack::rotamer_set::FlexbbRotamerSets::~FlexbbRotamerSets ( )
overridedefault

Member Function Documentation

core::conformation::Residue const& protocols::flexpack::rotamer_set::FlexbbRotamerSets::backbone_for_moltenres_bbconf ( core::Size  moltenres,
core::Size  bbconf 
) const
inline
core::conformation::Residue const& protocols::flexpack::rotamer_set::FlexbbRotamerSets::backbone_for_resid_bbconf ( core::Size  resid,
core::Size  bbconf 
) const
inline

Rotamer indexed locally.

Rotamer indexed globally.

References conformations_for_flexible_segments_, and resid_2_moltenres_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::bbconf_for_rotamer ( core::Size  rotamer_id) const
inline

rotamer_id in the global enumeration of rotamers.

References bbconf_for_rotamer_of_moltenres_, local_rotid_for_rotamer_on_moltenres(), and moltenres_for_rotamer_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::bbconf_for_rotamer_on_moltenres ( core::Size  moltenres,
core::Size  rotamer_id 
) const
inline
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::build_residue_vector_from_fragment ( Pose pose,
core::fragment::FrameCOP  frame,
core::Size  frag_num,
utility::vector1< core::conformation::ResidueOP > &  fragment_res 
)
protected

References core::pose::Pose::residue().

Referenced by set_frames().

void protocols::flexpack::rotamer_set::FlexbbRotamerSets::build_rotamers ( Pose const &  pose,
ScoreFunction const &  sfxn,
utility::graph::Graph const &  flexpack_neighbor_graph 
)
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::compute_one_body_energies_for_otf_ig ( Pose const &  pose,
ScoreFunction const &  sfxn,
utility::graph::GraphCOP  flexpack_neighbor_graph,
interaction_graph::OTFFlexbbInteractionGraph flexbb_ig 
) const
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::compute_onebody_interactions_with_background ( core::Size  moltenres,
Pose const &  pose,
ScoreFunction const &  sfxn,
utility::graph::GraphCOP  flexpack_neighbor_graph,
interaction_graph::FlexbbInteractionGraph flexbb_ig 
) const
private
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::compute_sr_one_body_energies_for_flexsets ( core::Size  lowermoltenres,
core::Size  uppermoltenres,
utility::vector1< utility::vector1< core::Size > > const &  regular_representatives,
utility::vector1< utility::vector1< core::Size > > const &  proline_representatives,
utility::vector1< utility::vector1< core::Size > > const &  glycine_representatives,
Pose const &  pose,
ScoreFunction const &  sfxn,
interaction_graph::OTFFlexbbInteractionGraph flexbb_ig 
) const
private
core::Distance protocols::flexpack::rotamer_set::FlexbbRotamerSets::determine_res_cb_deviation ( Pose const &  pose,
core::Size  resid 
) const

function to determine the maximum deviation in the position of Cbs for the bbconfs of one residue This should use the "neighbor atom" instead of CB... CB exist for neither GLY nor non-protein residues.

References conformations_for_flexible_segments_, moltenres_2_resid_, core::conformation::Residue::nbr_atom(), core::pose::Pose::residue(), and core::conformation::Residue::xyz().

Referenced by flexpack_neighbor_graph().

void protocols::flexpack::rotamer_set::FlexbbRotamerSets::dump_pdbs ( core::pose::Pose const &  pose,
std::string const &  filename_base 
) const

function to dump all the rotamer sets out to pdb files, more or less only used for debugging

currently modelled after the core/pack/rotamer_set/RotamerSets dump_pdb function

References core::io::pdb::dump_pdb_residue(), core::chemical::element::I, nmoltenres_, core::pose::Pose::residue(), rotamers_, core::pose::Pose::size(), task_, and core::id::to_string().

Referenced by build_rotamers().

utility::graph::GraphOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexpack_neighbor_graph ( Pose const &  pose,
ScoreFunction const &  sfxn,
PackerTaskCOP  task 
) const

function to figure out the flexpack neighbor graph, see core::pack::create_packer_graph for fixbb version

problem: Ca/Cb not fixed, so we need to add a certain distance to the interaction energies. this distance will depend on the average deviation of the CBs in the flexible segments for each residue

References core::pack::create_packer_graph(), determine_res_cb_deviation(), core::pack::find_residue_max_radii(), resid_2_moltenres_, and total_residue_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegid_for_moltenres ( core::Size  molten_resid) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegid_for_res ( core::Size  resid) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_size ( core::Size  flex_segment_id) const
inline

References flexsegment_span_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_start_moltenresid ( core::Size  flex_segment_id) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_start_resid ( core::Size  flex_segment_id) const
inline

References flexsegment_span_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_stop_moltenresid ( core::Size  flex_segment_id) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_stop_resid ( core::Size  flex_segment_id) const
inline

References flexsegment_span_.

FlexbbRotamerSetsCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_ptr ( ) const
inline
FlexbbRotamerSetsOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_ptr ( )
inline
FlexbbRotamerSetsCAP protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_weak_ptr ( ) const
inline

Referenced by build_rotamers().

FlexbbRotamerSetsAP protocols::flexpack::rotamer_set::FlexbbRotamerSets::get_self_weak_ptr ( )
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::global_rotid_start_for_moltenres_in_bbconf ( core::Size  moltenres,
core::Size  bbconf 
) const
inline
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::initialize_pose_for_rotsets_creation ( core::pose::Pose pose) const
inlineoverridevirtual

Give the pose a chance to stash any data needed by the rotset need nonconst access to pose.

Implements core::pack_basic::RotamerSetsBase.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_for_rotamer ( core::Size  rotamer_id) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_for_rotamer_on_moltenres ( core::Size  moltenres,
core::Size  rotamer_id 
) const
inline

Input: rotid in global enumeration, Output rotid in local enumeration.

References nrotoffset_for_moltenres_.

Referenced by bbconf_for_rotamer().

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::local_rotid_start_for_moltenres_in_bbconf ( core::Size  moltenres,
core::Size  bbconf 
) const
inline
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_2_resid ( core::uint  moltres) const
overridevirtual
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_for_rotamer ( core::uint  rotid) const
overridevirtual
bool protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_part_of_flexsegment ( core::Size  molten_resid) const
inline

References moltenres_2_flexseg_.

core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_rotid_2_rotid ( core::uint  moltenres,
core::uint  moltenresrotid 
) const
overridevirtual

convert moltenres rotid to id in full rotamer enumeration

Implements core::pack_basic::RotamerSetsBase.

FlexbbRotamerSets::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbackbone_conformations ( ) const

the "total" number of backbone conformations, counting the input conformation for all flexible segments (but not counting the input conformation for residues with only a single backbone conformation)

References nbbconfs_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_flexseg ( core::Size  flex_segment_id) const
inline

References nbbconfs_for_flexseg_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_moltenres ( core::Size  moltenres) const
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_res ( core::Size  resid) const
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nflexible_segments ( ) const
inline

References flexsegment_span_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nmolten_res ( ) const
inline

References nmoltenres_.

core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::nmoltenres ( ) const
overridevirtual
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamer_offset_for_moltenres ( core::uint  moltres) const
overridevirtual
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers ( ) const
overridevirtual

Virtual functions from base class.

Implements core::pack_basic::RotamerSetsBase.

References nrotamers_.

core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_moltenres ( core::uint  moltres) const
overridevirtual
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_moltenres_in_bbconf ( core::Size  moltenres,
core::Size  bbconf 
) const
inline
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_res ( core::Size  resid) const
inline

The total number of rotamers across all residues and all backbone conformations.

References nrotamers_for_moltenres_, and resid_2_moltenres_.

core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_resid_in_bbconf ( core::Size  resid,
core::Size  bbconf 
) const
inline
utility::vector1< core::Size > const& protocols::flexpack::rotamer_set::FlexbbRotamerSets::num_states_per_backbone_for_moltenres ( core::Size  moltenres) const
inline
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::precompute_all_energies ( Pose const &  pose,
ScoreFunction const &  sfxn,
utility::graph::GraphCOP  flexpack_neighbor_graph,
interaction_graph::PrecomputedFlexbbInteractionGraph flexbb_ig 
) const

Referenced by precompute_energies().

void protocols::flexpack::rotamer_set::FlexbbRotamerSets::precompute_energies ( Pose const &  pose,
ScoreFunction const &  sfxn,
utility::graph::GraphCOP  flexpack_neighbor_graph,
interaction_graph::FlexbbInteractionGraph flexbb_ig 
) const
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::res_for_rotamer ( core::uint  rotid) const
overridevirtual
bool protocols::flexpack::rotamer_set::FlexbbRotamerSets::res_part_of_flexsegment ( core::Size  resid) const
inline
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::resid_2_moltenres ( core::uint  resid) const
overridevirtual
core::conformation::ResidueCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer ( core::uint  rotid) const
overridevirtual
core::conformation::ResidueCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer_for_moltenres ( core::uint  moltenres_id,
core::uint  rotamerid 
) const
overridevirtual
core::conformation::ResidueCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamer_for_residue ( core::Size  resid,
core::Size  rotindex_on_residue 
) const

Rotamer indexed locally.

References resid_2_moltenres_, and rotamer_for_moltenres().

bool protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamers_on_same_bbconf ( core::Size  moltenres,
core::Size  rot1,
core::Size  rot2 
) const
inline

Do two rotamers originate from the same backbone conformation? Local enumeration for both rot1 and rot2; rot1 and rot2 must be rotamers of the same molten residue.

References bbconf_for_rotamer_of_moltenres_, protocols::jumping::rot1, and protocols::jumping::rot2.

core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotid_on_moltenresidue ( core::uint  rotid) const
overridevirtual

convert rotid in full rotamer enumeration into rotamer id on its source residue

– unimplemented!

Implements core::pack_basic::RotamerSetsBase.

FlexbbRotamerSetCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotset_for_moltenres ( core::Size  molten_resid,
core::Size  bbconf = 1 
) const

References rotamers_.

FlexbbRotamerSetCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotset_for_residue ( core::Size  resid,
core::Size  bbconf = 1 
) const

References resid_2_moltenres_, and rotamers_.

void protocols::flexpack::rotamer_set::FlexbbRotamerSets::set_frames ( Pose const &  pose,
utility::vector1< core::fragment::FrameCOP > const &  frames 
)
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::show ( std::ostream &  out) const
overridevirtual
core::uint protocols::flexpack::rotamer_set::FlexbbRotamerSets::total_residue ( ) const
overridevirtual
void protocols::flexpack::rotamer_set::FlexbbRotamerSets::update_offset_data ( )
private

Member Data Documentation

utility::vector1< utility::vector1< core::Size > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::bbconf_for_rotamer_of_moltenres_
private
utility::vector1< utility::vector1< core::conformation::ResidueCOP > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::conformations_for_flexible_segments_
private
utility::vector1< std::pair< core::Size, core::Size > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::flexsegment_span_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_2_flexseg_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_2_resid_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::moltenres_for_rotamer_
private
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::nbbconfs_for_flexseg_
private
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nmoltenres_
private
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_
private

Referenced by nrotamers(), show(), and update_offset_data().

utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotamers_for_moltenres_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotoffset_for_moltenres_
private
utility::vector1< utility::vector1< core::Size > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrotoffset_for_moltenres_bbconf_
private
utility::vector1< utility::vector1< core::Size > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::nrots_for_moltenres_bbconf_
private
utility::vector1< core::Size > protocols::flexpack::rotamer_set::FlexbbRotamerSets::resid_2_moltenres_
private
utility::vector1< utility::vector1< rotamer_set::FlexbbRotamerSetOP > > protocols::flexpack::rotamer_set::FlexbbRotamerSets::rotamers_
private
PackerTaskCOP protocols::flexpack::rotamer_set::FlexbbRotamerSets::task_
private
core::Size protocols::flexpack::rotamer_set::FlexbbRotamerSets::total_residue_
private

The documentation for this class was generated from the following files: