Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
Cradle_step2_selected Class Reference

Public Member Functions

def __init__ (self, cradle_step2_2_options)
 
def setup_new_spectfiles (self, labels)
 
def combination_select_labels (self)
 
def list_selected_labels (self)
 
def prepare_new_spec (self)
 
def get_domains_from_spec (self, spec_files)
 
def summarize_correctness_result_in_csv (self, correctness_all_data)
 
def run (self)
 

Public Attributes

 m_options
 
 domains
 
 re_domains
 
 re_pdb_info
 
 re_specfile_name
 

Detailed Description

Compute distances (lRMSD or RMSDcomb) for given pdb files and perform a hierarchical clustering. Compute distances (lRMSD or RMSDcomb) for given pdb files and perform a hierarchical clustering.

Constructor & Destructor Documentation

◆ __init__()

def __init__ (   self,
  cradle_step2_2_options 
)

Member Function Documentation

◆ combination_select_labels()

def combination_select_labels (   self)

◆ get_domains_from_spec()

def get_domains_from_spec (   self,
  spec_files 
)

◆ list_selected_labels()

def list_selected_labels (   self)

◆ prepare_new_spec()

def prepare_new_spec (   self)

◆ run()

def run (   self)

◆ setup_new_spectfiles()

def setup_new_spectfiles (   self,
  labels 
)

◆ summarize_correctness_result_in_csv()

def summarize_correctness_result_in_csv (   self,
  correctness_all_data 
)

Member Data Documentation

◆ domains

domains

◆ m_options

m_options

◆ re_domains

re_domains

◆ re_pdb_info

re_pdb_info

◆ re_specfile_name

re_specfile_name