dsrpdb::Model Class Reference

#include <Model.h>

Detailed Description

A class representing a single model from a PDB file.

You can iterator through the chains and soon the heterogens.

Examples:: pdb_align.cc, pdb_align_points.cc, pdb_distance.cc, and pdb_split.cc.

Definition at line 35 of file Model.h.

Public Member Functions

Model ()

Model (unsigned int i)

size_t number_of_chains () const

Protein & chain (unsigned int i)

const Protein & chain (unsigned int i) const

void new_chain (const Protein &p)

void write (std::ostream &out) const

int index () const

void set_index (int ind)

Protected Attributes

std::vector< std::string > extra_

std::vector< Protein > chains_

int index_

Friends

class PDB

dsrpdb::Model::Model ( )

Construct an empty model.

dsrpdb::Model::Model ( unsigned int i )

Construct an empty model with a number.

const Protein& dsrpdb::Model::chain ( unsigned int i ) const

get the ith strand

Protein& dsrpdb::Model::chain ( unsigned int i )

get the ith strand

Examples:
pdb_align.cc, pdb_align_points.cc, pdb_distance.cc, and pdb_split.cc.

int dsrpdb::Model::index ( ) const [inline]

return the index or -1 if it is not valid

Examples:
pdb_align.cc, pdb_distance.cc, and pdb_split.cc.

Definition at line 57 of file Model.h.
References index_.

void dsrpdb::Model::new_chain ( const Protein & p )

add a strand

Examples:
pdb_split.cc.

size_t dsrpdb::Model::number_of_chains ( ) const

The number of strands.

Examples:
pdb_align.cc, pdb_distance.cc, and pdb_split.cc.

void dsrpdb::Model::set_index ( int ind ) [inline]

set the index

Definition at line 60 of file Model.h.
References index_.

void dsrpdb::Model::write ( std::ostream & out ) const

write to a pdb

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