Package schrodinger :: Package application :: Package desmond :: Module fep_edge_data :: Class FEPTorsionsContainer

Class FEPTorsionsContainer

Class that stors torsions for a single ligand. These torsions are from both solvent and complex legs of the simulations, corresponding to a single lambda value.

Instance Methods

[hide private]

__init__(self, sol_torsions_sea_list, cpx_torsions_sea_list, sol_idx_offset=0, cpx_idx_offset=0)

_check_tors(self)

_process_tors(self)

Properties

[hide private]

matched_tors

unmatched_tors

all_tors

matched_total

unmatched_total

tors_total

Property Details

[hide private]

matched_tors

Get Method:: unreachable.matched_tors(self)

unmatched_tors

Get Method:: unreachable.unmatched_tors(self)

all_tors

Get Method:: unreachable.all_tors(self)

matched_total

Get Method:: unreachable.matched_total(self)

unmatched_total

Get Method:: unreachable.unmatched_total(self)

tors_total

Get Method:: unreachable.tors_total(self)