CYANA Command: write upl: Difference between revisions
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: Option to output restraints that involve diastereotopic hydrogens or methyl groups after optimal swapping of the stereopartners for minimal target function value. | : Option to output restraints that involve diastereotopic hydrogens or methyl groups after optimal swapping of the stereopartners for minimal target function value. | ||
; xplor | ; xplor | ||
: Option to output the file in the format of the program XPLOR instead of the standard CYANA | : 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 | ; nocomments | ||
: Option to suppress the output of comments such as the number of the peak from which the restraint originated. | : Option to suppress the output of comments such as the number of the peak from which the restraint originated. |
Revision as of 22:41, 3 February 2009
Parameters
- file=filename.upl (required)
- sorted
- 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.
Write sequence 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".