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(fn)

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

Methods

`__init__`(fn_re, group_names, ...)
`parse_fn`(fn)

Attributes

index