msmbuilder.io.GenericParser

class msmbuilder.io.GenericParser(fn_re, group_names, group_transforms, top_fn, step_ps)

Parse trajectories in a fully configurable manner

Parameters:

fn_re : str

Regular expression with capture groups to transform trajectory filenames into keys

group_names : list of str

Capture group names (to serve as MultiIndex names)

group_transforms : list of functions

Apply these functions to capture groups

top_fn : str

Topology filename

step_ps : int

Timestep of frames in picoseconds

Attributes:

index

Methods

parse_fn

__init__(fn_re, group_names, group_transforms, top_fn, step_ps)

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

Methods

__init__(fn_re, group_names, …)	Initialize self.
parse_fn(fn)

Attributes

index