CYANA Command: write upl

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 upper distance limits 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 an upper limit distance restraint file. Optionally, the output may be appended to an existing file.

Parameters

file=filename.seq

(required) The name of the output sequence file. The filename extension ".seq" is used unless a filename extension is given explicitly.

pure

Option to write purely the residue names and residue numbers, excluding possible cis-peptide bond declarations or link statements.

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.

Instead of the command

write seq filename.upl

the shorthand version

write filename.upl

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