Rosetta 3.4
Public Types | Public Member Functions
protocols::enzdes::GenerateStoredRBConfs Class Reference

generates random rbconfs until a total of num_total_rbconfs_ are present in the cacheable observer. The diversifier is used to ensure that all newly generated confs are different. note: no scorefunction used More...

#include <ModifyStoredLigandRBConfsMovers.hh>

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List of all members.

Public Types

typedef ModifyStoredRBConfs parent

Public Member Functions

 GenerateStoredRBConfs (Size num_total_rbconfs, bool include_metals)
 ~GenerateStoredRBConfs ()
void apply (core::pose::Pose &pose)
 two things happen: 1. for ligands which already have multiple conformations stored, their number will be increased to num_total_rbconfs_ in case there are already more rb_confs than num_total_rb_confs_, nothing happens 2. for ligands that don't have multiple conformations stored, num_total_rbconfs_ will be generated
virtual std::string get_name () const
 Each derived class must specify its name. The class name.

Detailed Description

generates random rbconfs until a total of num_total_rbconfs_ are present in the cacheable observer. The diversifier is used to ensure that all newly generated confs are different. note: no scorefunction used


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::enzdes::GenerateStoredRBConfs::GenerateStoredRBConfs ( Size  num_total_rbconfs,
bool  include_metals 
)
protocols::enzdes::GenerateStoredRBConfs::~GenerateStoredRBConfs ( )

Member Function Documentation

void protocols::enzdes::GenerateStoredRBConfs::apply ( core::pose::Pose pose) [virtual]

two things happen: 1. for ligands which already have multiple conformations stored, their number will be increased to num_total_rbconfs_ in case there are already more rb_confs than num_total_rb_confs_, nothing happens 2. for ligands that don't have multiple conformations stored, num_total_rbconfs_ will be generated

Implements protocols::enzdes::ModifyStoredRBConfs.

References core::conformation::Residue::clone(), protocols::moves::Mover::clone(), protocols::enzdes::DiversifyStoredRBConfs::diversify_all_confs(), protocols::enzdes::ModifyStoredRBConfs::get_rigid_body_confs(), core::chemical::ResidueType::is_ligand(), core::conformation::Residue::name(), core::chemical::ResidueType::natoms(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), protocols::enzdes::ModifyStoredRBConfs::set_rigid_body_confs_for_seqpos(), core::pose::Pose::total_residue(), and protocols::enzdes::tr().

Referenced by protocols::enzdes::enzutil::read_pose_from_pdb().

std::string protocols::enzdes::GenerateStoredRBConfs::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Reimplemented from protocols::enzdes::ModifyStoredRBConfs.


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