haddock.fcc.calc_fcc_matrix module
Calculates a matrix of fraction of common contacts between two or more structures.
- Authors:
RODRIGUES Joao TRELLET Mikael MELQUIOND Adrien
- haddock.fcc.calc_fcc_matrix.calculate_fcc(listA, listB)[source]
Calculates the fraction of common elements between two lists taking into account chain IDs
- haddock.fcc.calc_fcc_matrix.calculate_fcc_nc(listA, listB)[source]
Calculates the fraction of common elements between two lists not taking into account chain IDs. Much Slower.
- haddock.fcc.calc_fcc_matrix.calculate_pairwise_matrix(contacts, ignore_chain)[source]
Calculates a matrix of pairwise fraction of common contacts (FCC). Outputs numeric indexes.
contacts: list_of_unique_pairs_of_residues [set/list]
Returns pairwise matrix as an iterator, each entry in the form: FCC(cplx_1/cplx_2) FCC(cplx_2/cplx_1)