Rosetta 3.4
Public Member Functions
core::pack::rotamer_set::ContinuousRotamerSet Class Reference

#include <ContinuousRotamerSet.hh>

Inheritance diagram for core::pack::rotamer_set::ContinuousRotamerSet:
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List of all members.

Public Member Functions

 ContinuousRotamerSet ()
virtual ~ContinuousRotamerSet ()
void build_rotamers (pose::Pose const &pose, Size resid, task::PackerTask const &task)
Size get_n_residue_types () const
Size get_n_sampling_rotamers_for_rotblock (Size which_restype) const
Size get_n_baserotamers_for_rotblock (Size which_restype) const
Size get_rotblock_index_for_sampling_rotamer (Size which_rotamer) const
 Rotamers i to i+j of all the same residue type are grouped together. This function returns the index of the residue type in a contiguous block of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99. If new lysine rotamers are appended to the end of the rotamer set, they are considered to be in a separate residue type block. Lysine rotamers 200 to 210 might be block 15 while lysine rotamers 100 to 120 are still block 7.
Size num_base_rotamers_total () const
Size num_sampling_rotamers_total () const
Size sampling_id_for_current_rotamer () const
utility::vector1< Vector > const & current_rotamer_coords () const
Size resid () const
chemical::ResidueTypeCAP restype_for_rotblock (Size rotblock) const
dunbrack::DunbrackRotamerSampleData
const & 
baserotamer_data (Size aa_ind, Size rotid_for_aa) const
Size pick_baserotamer_from_rotblock (Size aa_ind, Real rand_btw_0_and_1) const

Constructor & Destructor Documentation

core::pack::rotamer_set::ContinuousRotamerSet::ContinuousRotamerSet ( )
core::pack::rotamer_set::ContinuousRotamerSet::~ContinuousRotamerSet ( ) [virtual]

Member Function Documentation

dunbrack::DunbrackRotamerSampleData const & core::pack::rotamer_set::ContinuousRotamerSet::baserotamer_data ( Size  aa_ind,
Size  rotid_for_aa 
) const
void core::pack::rotamer_set::ContinuousRotamerSet::build_rotamers ( pose::Pose const &  pose,
Size  resid,
task::PackerTask const &  task 
)
utility::vector1< Vector > const & core::pack::rotamer_set::ContinuousRotamerSet::current_rotamer_coords ( ) const
Size core::pack::rotamer_set::ContinuousRotamerSet::get_n_baserotamers_for_rotblock ( Size  which_restype) const
Size core::pack::rotamer_set::ContinuousRotamerSet::get_n_residue_types ( ) const

Note, its entirely possible for two residue types to be the "same amino acid", e.g. HIS and HIS_D.

Size core::pack::rotamer_set::ContinuousRotamerSet::get_n_sampling_rotamers_for_rotblock ( Size  which_restype) const
Size core::pack::rotamer_set::ContinuousRotamerSet::get_rotblock_index_for_sampling_rotamer ( Size  which_rotamer) const

Rotamers i to i+j of all the same residue type are grouped together. This function returns the index of the residue type in a contiguous block of rotamers. E.g. rotamers 100 to 120 might all be lysine rotamers, and might be the 8th residue type, with the first 7 residue types spanning rotamers 1 to 99. If new lysine rotamers are appended to the end of the rotamer set, they are considered to be in a separate residue type block. Lysine rotamers 200 to 210 might be block 15 while lysine rotamers 100 to 120 are still block 7.

Referenced by core::pack::assign_random_continuous_rotamer().

Size core::pack::rotamer_set::ContinuousRotamerSet::num_base_rotamers_total ( ) const
Size core::pack::rotamer_set::ContinuousRotamerSet::num_sampling_rotamers_total ( ) const
Size core::pack::rotamer_set::ContinuousRotamerSet::pick_baserotamer_from_rotblock ( Size  aa_ind,
Real  rand_btw_0_and_1 
) const
Size core::pack::rotamer_set::ContinuousRotamerSet::resid ( ) const

Referenced by build_rotamers().

chemical::ResidueTypeCAP core::pack::rotamer_set::ContinuousRotamerSet::restype_for_rotblock ( Size  rotblock) const
Size core::pack::rotamer_set::ContinuousRotamerSet::sampling_id_for_current_rotamer ( ) const

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