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Public Member Functions | List of all members
protocols::pockets::GenPharmacophore Class Reference

#include <GenPharmacophore.hh>

Inheritance diagram for protocols::pockets::GenPharmacophore:
Inheritance graph
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Public Member Functions

bool is_buried_ring (core::conformation::Residue const &rsd, core::Real const &ring_sasa, core::Real const &sasa_cutoff)
 
core::Real get_RNAring_sasa (core::conformation::Residue const &rsd, int const &rsdno, core::id::AtomID_Map< core::Real > const &pose_atom_sasa)
 
void get_ideal_hydrogenBond_atoms (core::pose::Pose const &protein_pose)
 
void cluster_KeyFeatures (std::string const &input_filename, std::string const &output_filename) const
 
std::string extract_rna_rings_from_protein_rna_complex (core::pose::Pose const &protein_pose, core::pose::Pose const &rna_pose)
 
std::string extract_Hbond_atoms_from_protein_rna_complex (core::pose::Pose const &protein_pose, core::pose::Pose const &rna_pose)
 
std::string make_compatible_with_ROCS_custom_ForceField (std::string &input_filename)
 
void print_string_to_PDBfile (std::string const &input_filename, std::string const &output_filename) const
 
std::string ReplaceString (std::string subject, const std::string &search, const std::string &replace)
 

Member Function Documentation

void protocols::pockets::GenPharmacophore::cluster_KeyFeatures ( std::string const &  input_filename,
std::string const &  output_filename 
) const
std::string protocols::pockets::GenPharmacophore::extract_Hbond_atoms_from_protein_rna_complex ( core::pose::Pose const &  protein_pose,
core::pose::Pose const &  rna_pose 
)
std::string protocols::pockets::GenPharmacophore::extract_rna_rings_from_protein_rna_complex ( core::pose::Pose const &  protein_pose,
core::pose::Pose const &  rna_pose 
)
void protocols::pockets::GenPharmacophore::get_ideal_hydrogenBond_atoms ( core::pose::Pose const &  protein_pose)
core::Real protocols::pockets::GenPharmacophore::get_RNAring_sasa ( core::conformation::Residue const &  rsd,
int const &  rsdno,
core::id::AtomID_Map< core::Real > const &  pose_atom_sasa 
)
bool protocols::pockets::GenPharmacophore::is_buried_ring ( core::conformation::Residue const &  rsd,
core::Real const &  ring_sasa,
core::Real const &  sasa_cutoff 
)
std::string protocols::pockets::GenPharmacophore::make_compatible_with_ROCS_custom_ForceField ( std::string &  input_filename)
void protocols::pockets::GenPharmacophore::print_string_to_PDBfile ( std::string const &  input_filename,
std::string const &  output_filename 
) const
std::string protocols::pockets::GenPharmacophore::ReplaceString ( std::string  subject,
const std::string &  search,
const std::string &  replace 
)

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