Rosetta 3.4
Classes | Namespaces | Typedefs | Functions
src/core/io/pdb/file_data.hh File Reference
#include <core/io/pdb/file_data.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
 Atom_information contain information for individual atom. only fields that predent in file will be initialazed, other will have default value. That class basicaly reflect structure of 'ATOM' line in PDB file format. More...
class  core::io::pdb::ResidueInformation
 Intermediate format for easy construction of core::conformation::Residue objects. Subset of data from "ATOM" lines that is shared by all atoms in a residue. More...
class  core::io::pdb::FileData
 FileData class. Hold data created from PDB file. More...

Namespaces

namespace  core
 

A class for defining atom parameters, known as atom_types.


namespace  core::io
namespace  core::io::pdb

Typedefs

typedef std::string core::io::pdb::String
 Record type, represent one line in pdb file.
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.
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.
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_as_is1 (io::pdb::FileData &fd, pose::Pose &pose, chemical::ResidueTypeSet const &residue_set, id::AtomID_Mask &missing)
bool core::io::pdb::is_residue_type_recognized (Size const pdb_residue_index, std::string const &pdb_name, core::chemical::ResidueTypeCAPs 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)
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, chemical::ResidueTypeSet const &residue_set, utility::vector1< core::Size > const &residue_indices)

Detailed Description

Author:
Sergey Lyskov
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