Write aco

Parameters

file=filename.aco (required)

redac

xplor

structures=integer

(default: 10)

maxwidth=real

(default: 270.0)

append

Description

Writes an angle restraint file. Optionally, the output may be appended to an existing file. Optionally, redundant dihedral angle restraints for the Redac strategy (Guentert & Wuethrich, 1991) may be derived from the current angle statistics and included in the output (option redac; see the commands angstat make and redac). In order to generate redundant dihedral angle restraints for a given residue, its local target function value (and that of its immediate neighbors must be below the cutoff value given by the variable ang_cut in at least N structures. Redundant dihedral angle restraints with an allowed range wider than Df degrees are discarded. The parameters structures and maxwidth can only be in conjunction with the redac option.