SCWRLRotamerFile Class Reference

Reads Dunbrack/SCWRL rotamer library files. More...

#include <SCWRLRotamerFile.h>

Inheritance diagram for SCWRLRotamerFile:

List of all members.

Public Member Functions
Constructors and Destructor
	SCWRLRotamerFile () throw ()
	Default constructor.
	SCWRLRotamerFile (const SCWRLRotamerFile &file) throw ()
	Copy constructor.
	SCWRLRotamerFile (const String &name, File::OpenMode open_mode=std::ios::in) throw ()
	Detailed constructor.
virtual	~SCWRLRotamerFile () throw ()
	Destructor.
Assignment
const SCWRLRotamerFile &	operator= (const SCWRLRotamerFile &file)
	Assignment operator.
void	operator>> (RotamerLibrary &rotamer_library) throw ()
	input operator
Protected Member Functions
void	readSCWRLBackboneDependentLibraryFile_ (RotamerLibrary &library) throw (Exception::ParseError)
void	readSCWRLBackboneIndependentLibraryFile_ (RotamerLibrary &library) throw (Exception::ParseError)

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Detailed Description

Reads Dunbrack/SCWRL rotamer library files.

This class is able to read the rotamer library files from Dunbrack including the one used in SCWRL3.0 . It decides if the file contains backbone dependent or backbone independent rotamers. Currently only files with the same format as bbdep02.May.lib or bbind02.May.lib are supported.