Residue tolerance during building

Implement residue replacement possibilities.

class idpconfgen.components.residue_tolerance.EDSS50_indexes(option_strings, dest, nargs=None, const=None, default=None, type=None, choices=None, required=False, help=None, metavar=None)

Convert the number indexes to EDSS50 table.

idpconfgen.components.residue_tolerance.EDSSMat50_subs = {'A': ['', '', '', 'TV', 'SG'], 'C': ['', 'Y', 'W', 'F', 'SVH'], 'D': ['', '', 'E', '', ''], 'E': ['', '', 'D', '', ''], 'F': ['Y', '', 'WL', 'MIC', 'VH'], 'G': ['', '', '', '', 'A'], 'H': ['', '', 'YQ', 'N', 'FRC'], 'I': ['', 'VM', 'L', 'F', 'T'], 'K': ['', '', 'R', '', 'Q'], 'M': ['', 'I', 'VL', 'F', 'T'], 'N': ['', '', '', 'H', 'STD'], 'P': ['', '', '', '', ''], 'Q': ['', '', 'H', '', 'KR'], 'R': ['', '', 'K', '', 'HQW'], 'S': ['', '', '', '', 'TCNA'], 'T': ['', '', '', 'A', 'VSMIN'], 'W': ['', '', 'YFC', '', 'R'], 'Y': ['F', '', 'C', '', 'WH']}

EDSSMat50 tolerance matrix.

idpconfgen.components.residue_tolerance.add_res_tolerance_groups(ap)

Add parameters related to residue tolerance.

idpconfgen.components.residue_tolerance.make_EDSSMat50_subs(idx=(5, 3, 2, 1, 0))

Make EDSSMat50 table column indexes.