stacker.pairwise_distance.load_ssfs

load_ssfs(file)

Loads a list of SSFs created by stacker -s ssf -d OUTFILE

Loads a list of SSFs where each element is an SSF from a given frame. This is OUTFILE when running stacker -s ssf -d OUTFILE and quickly provides saved SSF data rather than recalculating SSFs for a given trajectory.

Parameters:

filestr

outfile from stacker -s ssf -d OUTFILE. Must be .txt or .txt.gz.

Returns:

ssfsnumpy.typing.ArrayLike

List or array of 2D NumPy arrays representing a pairwise distance matrix of an MD structure. All 2D NumPy arrays must be of the same dimenstions. Output of get_residue_distance_for_trajectory()

See also

system_stacking_fingerprints

calculates ssfs rather than loading it like this function.

get_residue_distance_for_trajectory

Alias for system_stacking_fingerprints()

get_frame_average

calculates average SSF for a trajectory. matrix parameter is the output of this