PDB_line_selector_chain Class Reference

#include <line_selectors.h>

Public Member Functions
template<class Str_iterator >
	PDB_line_selector_chain (const Str_iterator &begin, const Str_iterator &end, bool keep_water=true, bool keep_remaining_chains=false, double Water_Bfactorlim=200, bool keep_hydrogen=false)

Detailed Description

This class is a line selector defining one system per group of chains provided.

Constructor & Destructor Documentation

PDB_line_selector_chain()

PDB_line_selector_chain ( const Str_iterator &  begin, const Str_iterator &  end, bool  keep_water = true, bool  keep_remaining_chains = false, double  Water_Bfactorlim = 200, bool  keep_hydrogen = false  )

inline

Constructor from a range of string. A string AB indicates that the system is composed of chains A and B

Template Parameters

Str_iterator

is an iterator over std::string objects.

Parameters

begin	is the first iterator of the range of strings.
end	is the past-end iterator of the range of strings.
keep_water	indicate whether water molecules should be kept.
keep_remaining_chains	indicates whether the last system should contains unselected chains.
Water_Bfactorlim	water molecules with a temperature factor higher that this value are discarded.
keep_hydrogen	indicates whether hydrogens atoms must be selected.