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Utils

utils.GetCovarianceMatrix(context)

Calculate and store the covariance matrix

PARAMETER DESCRIPTION
context

WISP context for computing the covariance matrix.

average_pdb = None instance-attribute

correlations = np.empty((len(self.average_pdb.residue_identifiers_in_order), len(self.average_pdb.residue_identifiers_in_order))) instance-attribute

__getitem__(_)

convert_list_of_residue_keys_to_residue_indices(list_residue_keys)

Identify the indices in a nx.Graph object corresponding to the identified residue string ids (CHAIN_RESNAME_RESID).

PARAMETER DESCRIPTION
list_residue_keys

a list of strings representing protein residues (format: CHAIN_RESNAME_RESID)

TYPE: Collection[str]

RETURNS DESCRIPTION

a list of ints, the nx.Graph indices corresponding to the residue

string ids in list_residue_keys