asyncmd.trajectory.convert

asyncmd.trajectory.convert#

This module contains various classes used for trajectory extraction and concatenation.

Most notably the FrameExtractor classes and the TrajectoryConcatenator.

Classes

FrameExtractor(*[, mda_transformations, ...])

Abstract base class for FrameExtractors.

InvertedVelocitiesFrameExtractor(*[, ...])

Extract a frame from a trajectory, write it out with inverted velocities.

NoModificationFrameExtractor(*[, ...])

Extract a frame from a trajectory, write it out without modification.

RandomVelocitiesFrameExtractor(T, *[, ...])

Extract a frame from a trajectory, write it out with randomized velocities.

TrajectoryConcatenator([...])

Create concatenated trajectory from given trajectories and frames.