Trajectory.h File Reference

#include <RDGeneral/export.h>
#include <vector>
#include "Snapshot.h"

Go to the source code of this file.

Classes
class	RDKit::Trajectory

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_TRAJECTORY_EXPORT unsigned int	RDKit::readAmberTrajectory (const std::string &fName, Trajectory &traj)
	Reads coordinates from an AMBER trajectory file into the traj Trajectory object.
RDKIT_TRAJECTORY_EXPORT unsigned int	RDKit::readGromosTrajectory (const std::string &fName, Trajectory &traj)
	Reads coordinates from a GROMOS trajectory file into the traj Trajectory object.