compute_lzone

StructureSimilarity.compute_lzone(save_file=True, filename=None)[source]

Compute the zone for L-RMSD calculation.

Note

It only provides the zone of long chain(s) which is used for fitting. The zone used for calculating RMSD is defined in the function compute_lrmsd_fast.

Parameters:

  • save_file (bool, optional) – save the zone file

  • filename (str, optional) – name of the file

Returns:

dict – definition of the zone.