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

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.

Write upper distance limit file

Parameters

file=filename.upl

(required) The name of the output upper distance limit file. The default filename extension ".upl" is used unless a filename extension is given explicitly.

sorted

Option to sort the distance restraints by the first and second atom. By default, the distance restraints are written in the order in which they are stored in the program, e.g. the order in which they have been read from an input file.

swapped

Option to output restraints that involve diastereotopic hydrogens or methyl groups after optimal swapping of the stereopartners for minimal target function value.

xplor

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

nocomments

Option to suppress the output of comments such as the number of the peak from which the restraint originated.

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 selected upper distance limits in the standard distance restraint file format of the program CYANA, or optionally in XPLOR format.

Instead of the command

write upl filename.upl

the shorthand version

write filename.upl

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