BALL::SCWRLRotamerFile Class Reference

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

#include <BALL/FORMAT/SCWRLRotamerFile.h>

Inheritance diagram for BALL::SCWRLRotamerFile:

List of all members.

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

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Constructor & Destructor Documentation

BALL::SCWRLRotamerFile::SCWRLRotamerFile

(

)

Default constructor.

BALL::SCWRLRotamerFile::SCWRLRotamerFile

(

const SCWRLRotamerFile &

file

)

Copy constructor.

BALL::SCWRLRotamerFile::SCWRLRotamerFile	(	const String &	name,
		File::OpenMode	open_mode = std::ios::in
	)

Detailed constructor.

virtual BALL::SCWRLRotamerFile::~SCWRLRotamerFile

(

)

[virtual]

Destructor.

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Member Function Documentation

const SCWRLRotamerFile& BALL::SCWRLRotamerFile::operator=

(

const SCWRLRotamerFile &

file

)

Assignment operator.

void BALL::SCWRLRotamerFile::operator>>

(

RotamerLibrary &

rotamer_library

)

input operator

void BALL::SCWRLRotamerFile::readSCWRLBackboneDependentLibraryFile_

(

RotamerLibrary &

library

)

throw (Exception::ParseError) [protected]

void BALL::SCWRLRotamerFile::readSCWRLBackboneIndependentLibraryFile_

(

RotamerLibrary &

library

)

throw (Exception::ParseError) [protected]