msmbuilder.io.NumberedRunsParser

class msmbuilder.io.NumberedRunsParser(traj_fmt='trajectory-{run}.xtc', top_fn='', step_ps=None)

Parse trajectories that are numbered with integers.

Parameters:

traj_fmt : str

A format string with {run} in it that gives the filename to look for. {run} will be captured and turned into an integer.

top_fn : str

Topology filename

step_ps : int

Trajectory frame step in picoseconds

Attributes:

index

Methods

parse_fn

__init__(traj_fmt='trajectory-{run}.xtc', top_fn='', step_ps=None)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__([traj_fmt, top_fn, step_ps])	Initialize self.
parse_fn(fn)

Attributes

index