pylipid.func.write_bound_poses

pylipid.func.write_bound_poses(pose_traj, pose_indices, save_dir, pose_prefix='BoundPose', pose_format='pdb')[source]

Write selected bound poses to disc.

The pose_traj is a mdtraj.Trajectory object. The selected bound poses, i.e. selected frames of this mdtraj.Trajectory object, are written to disc by mdtraj.Trajectory.save() function.

Parameters

  • pose_traj (mdtraj.Trajectory) – Bound poses coordinates object.

  • pose_indices (array_like) – The indices of the poses, i.e. the indices of the frames, to be written.

  • save_dir (str) – The directory to save the written coordinate files.

  • pose_prefix (str, optional, default=BoundPose") – The prefix of the coordinate files.

  • pose_format (str, optional, default="gro") – The format of the coordinate files. Support formats included by mdtraj.Trajectory.save().