/usr/include/BALL/DOCKING/GENETICDOCK/rotateBonds.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: Marcel Schumann $
// $Authors: Jan Fuhrmann, Marcel Schumann $
// ----------------------------------------------------
#ifndef BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
#define BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H
#include <BALL/KERNEL/system.h>
#include <BALL/KERNEL/atom.h>
#include <BALL/DATATYPE/hashSet.h>
#include <BALL/KERNEL/protein.h>
#include <BALL/DOCKING/COMMON/staticLigandFragment.h>
#include <vector>
namespace BALL
{
class RotateBond;
class BALL_EXPORT RotateBonds
{
public:
RotateBonds(const vector<Bond*>* rotatable_bonds);
/** copy constructor
*/
RotateBonds(const RotateBonds& rb);
/** assignment operator
*/
RotateBonds& operator = (const RotateBonds& rb);
/** default destructor
*/
~RotateBonds();
/** rotate all rotable bonds according to vec
*/
void rotate(std::vector<double> vec);
/** returns number of rotable bonds
*/
int numberBonds();
private:
/** vector to store all rotable bonds
*/
std::vector<RotateBond*> bonds_;
};
}
#endif /* BALL_DOCKING_GENETICDOCK_ROTATEBONDS_H */
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