Flags (AutoNOE)

This page describes the flags that directly control the behavior of the AutoNOE module. Since AutoNOE module is built on top of RASREC module, it uses the same set of flags provided for RASREC (see here) and an additional set of flags given below:

AutoNOE options

Options that control how RASREC iterations interact with the AutoNOE module.

-iterative::cenpool_noesy_cst_weight weight to apply to centroid pool for noesy-autoassigned constraints
-iterative:skip_redundant_constraints skip constranits that have similar constraints within 1=same residue 2=neighbours (0=inactive)
-iterative:delay_noesy_reassign start reassigning NOE restraints after X structures have been generated
-iterative:initial_noe_auto_assign_csts initial nopool assignment of NOESY data....
-iterative:auto_assign_scheme select CONST
-iterative:dcut in ADAPT1 what dcut should be chosen
-iterative:limit_decoys_for_noe_assign only use X first decoys for NOE assigment...