/usr/include/BALL/FORMAT/SCWRLRotamerFile.h is in libball1.4-dev 1.4.3~beta1-4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// vi: set ts=2:
//
#ifndef BALL_FORMAT_SCWRLROTAMERFILE_H
#define BALL_FORMAT_SCWRLROTAMERFILE_H
#include <BALL/FORMAT/lineBasedFile.h>
namespace BALL
{
/// forward declaration
class RotamerLibrary;
/** @brief 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 <b>bbdep02.May.lib</b> or <b>bbind02.May.lib</b> are supported.
*/
class BALL_EXPORT SCWRLRotamerFile
: public LineBasedFile
{
public:
/** @name Constructors and Destructor
*/
//@{
/// Default constructor
SCWRLRotamerFile();
/// Detailed constructor
SCWRLRotamerFile(const String& name, File::OpenMode open_mode = std::ios::in);
/// Destructor
virtual ~SCWRLRotamerFile();
//@}
/** @name Assignment
*/
//@{
/// Assignment operator
const SCWRLRotamerFile& operator = (const SCWRLRotamerFile& file);
/// input operator
void operator >> (RotamerLibrary& rotamer_library);
// TODO output operator????
//@}
/** Backbone depend read md method
* @throw Exception::ParseError if a syntax error encouncountered
*/
void readSCWRLBackboneDependentLibraryFile(RotamerLibrary& library);
/** Backbone independ readead method
* @throw Exception::ParseError if a syntax error encouncountered
*/
void readSCWRLBackboneIndependentLibraryFile(RotamerLibrary& library);
};
} // namespace BALL
#endif // BALL_FORMAT_SCWRLROTAMERFILE_H
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