CYANA Command: write aco

Write torsion angle restraints

Parameters

file=filename.aco

(required) The name of the output torsion angle restraint file. The default filename extension ".upl" is used unless a filename extension is given explicitly.

redac

Option to derive redundant dihedral angle restraints for the REDAC strategy (Guntert & Wuthrich, 1991). See description below.

xplor

Option to output the file in the format of the program XPLOR instead of the standard angle restraint file format of the program CYANA.

structures=integer

(default: 10)

maxwidth=real

(default: 270.0)

append

Option to append the output to the given file. By default, an already existing output file is overwritten.

Description

Writes a file with the currently torsion angle restraints in the standard torsion angle restraint file format of the program CYANA, or optionally in XPLOR format.

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 [CYANA 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.

Instead of the command

write aco filename.aco

the shorthand version

write filename.aco

can be used if the filename extension is ".aco".