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file_data.hh File Reference
#include <core/io/pdb/Field.fwd.hh>
#include <core/io/pdb/HeaderInformation.hh>
#include <core/io/pdb/file_data.fwd.hh>
#include <core/io/pdb/file_data_options.fwd.hh>
#include <core/io/pdb/pdb_dynamic_reader_options.fwd.hh>
#include <core/id/AtomID_Mask.fwd.hh>
#include <core/pose/Remarks.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.hh>
#include <core/types.hh>
#include <iostream>
#include <map>
#include <string>

Classes

class  core::io::pdb::AtomInformation
 A class that contains information for individual atoms. More...
 
class  core::io::pdb::ResidueInformation
 Intermediate format for easy construction of core::conformation::Residue objects. More...
 
struct  core::io::pdb::LinkInformation
 A structure for storing information from PDB LINK records. More...
 
class  core::io::pdb::FileData
 FileData class. Hold data created from PDB file. More...
 

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::io
 
 core::io::pdb
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::io
 
 core::io::pdb
 

Typedefs

typedef std::string core::io::pdb::String
 Record type, represent one line in pdb file. More...
 
typedef std::vector
< AtomInformation > 
core::io::pdb::AtomChain
 

Functions

void core::io::pdb::write_additional_pdb_data (std::ostream &out, pose::Pose const &pose, io::pdb::FileData const &, bool write_fold_tree)
 Writes. More...
 
void core::io::pdb::build_pose_from_pdb_as_is (pose::Pose &pose, std::string const &filename)
 Builds a pose into <pose>, without repacking or optimizing hydrogens; using the fullatom ResidueTypeSet. More...
 
void core::io::pdb::build_pose_from_pdb_as_is (pose::Pose &pose, std::string const &filename, PDB_DReaderOptions const &pdr_options)
 Builds a pose into <pose>, without repacking or optimizing hydrogens; using the fullatom ResidueTypeSet and a set of options. More...
 
void core::io::pdb::build_pose_from_pdb_as_is (pose::Pose &pose, chemical::ResidueTypeSet const &residue_set, std::string const &filename)
 
void core::io::pdb::build_pose_from_pdb_as_is (pose::Pose &pose, chemical::ResidueTypeSet const &residue_set, std::string const &filename, PDB_DReaderOptions const &pdr_options)
 
void core::io::pdb::build_pose_as_is1 (io::pdb::FileData &fd, pose::Pose &pose, chemical::ResidueTypeSet const &residue_set, id::AtomID_Mask &missing, FileDataOptions const &options)
 
bool core::io::pdb::is_residue_type_recognized (Size const pdb_residue_index, std::string const &pdb_name, core::chemical::ResidueTypeCOPs const &rsd_type_list, std::map< std::string, Vector > const &xyz, std::map< std::string, double > const &rtemp, utility::vector1< Size > &UA_res_nums, utility::vector1< std::string > &UA_res_names, utility::vector1< std::string > &UA_atom_names, utility::vector1< numeric::xyzVector< Real > > &UA_coords, utility::vector1< core::Real > &UA_temps)
 
bool core::io::pdb::is_residue_type_recognized (Size const pdb_residue_index, std::string const &pdb_name, core::chemical::ResidueTypeCOPs const &rsd_type_list, std::map< std::string, Vector > const &xyz, std::map< std::string, double > const &rtemp, utility::vector1< Size > &UA_res_nums, utility::vector1< std::string > &UA_res_names, utility::vector1< std::string > &UA_atom_names, utility::vector1< numeric::xyzVector< Real > > &UA_coords, utility::vector1< core::Real > &UA_temps, FileDataOptions const &options)
 
void core::io::pdb::pose_from_pose (pose::Pose &new_pose, pose::Pose const &old_pose, utility::vector1< core::Size > const &residue_indices)
 
void core::io::pdb::pose_from_pose (pose::Pose &new_pose, pose::Pose const &old_pose, utility::vector1< core::Size > const &residue_indices, FileDataOptions const &options)
 
void core::io::pdb::pose_from_pose (pose::Pose &new_pose, pose::Pose const &old_pose, chemical::ResidueTypeSet const &residue_set, utility::vector1< core::Size > const &residue_indices)
 
void core::io::pdb::pose_from_pose (pose::Pose &new_pose, pose::Pose const &old_pose, chemical::ResidueTypeSet const &residue_set, utility::vector1< core::Size > const &residue_indices, FileDataOptions const &options)
 

Detailed Description

Author
Sergey Lyskov