/usr/include/BALL/DOCKING/COMMON/flexDefinition.h is in libball1.4-dev 1.4.3~beta1-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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// $Maintainer: Marc Röttig $
// $Authors: Marc Röttig $
// ----------------------------------------------------
#ifndef BALL_DOCKING_COMMON_FLEXDEFINITION_H
#define BALL_DOCKING_COMMON_FLEXDEFINITION_H
#include <BALL/KERNEL/protein.h>
namespace BALL
{
/** FlexDefinition class.
This class is used to store flexibility information
about a receptor object.
*/
class BALL_EXPORT FlexDefinition
{
public:
enum RotamerLibrary
{
DUNBRACK = 0,
LOVELL
};
/** Make a rigid FlexDefinition.
*/
static FlexDefinition Rigid();
BALL_CREATE(FlexDefinition)
/** Constructor.
*/
FlexDefinition();
/** Destructor.
*/
virtual ~FlexDefinition();
/** Add a fully (all-atom) flexible residue.
@param residue index
*/
void addFullyFlexibleResidue(Position idx);
/** Get all fully-flexible residues.
@param vector of residue indices
*/
vector<Position> getFullyFlexibleResidues() const;
/** Add a rotamer-flexible residue.
@param residue index
*/
void addRotamerFlexibleResidue(Position idx);
/** Get all rotamer-flexible residues.
@param vector of residue indices
*/
vector<Position> getRotamerFlexibleResidues() const;
private:
vector<Position> fully_flexible_;
vector<Position> rotamer_flexible_;
};
}
#endif /* BALL_DOCKING_COMMON_FLEXDEFINITION_H */
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