CYANA Command: write lol: Difference between revisions

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''Write lower distance limit file''


== Parameters ==
== Parameters ==


; file=''filename''.lol           (required)
; file=''filename''.lol
:(required) The name of the output lower distance limit file. The default filename extension ".lol" is used unless a filename extension is given explicitly.
; sorted                         
; 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                         
; swapped                         
; xplor                        
: Option to output restraints that involve diastereotopic hydrogens or methyl groups after optimal swapping of the stereopartners for minimal target function value.
; nocomments                    
; xplor  
; append                        
: 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 ==
== Description ==


Writes a lower limit distance restraint file. Optionally, the output
Writes a file with the currently selected lower distance limits in the standard [[distance restraint file]] format of the program CYANA, or optionally in XPLOR format.
may be appended to an existing file.
 
Instead of the command
 
write lol ''filename''.lol
 
the shorthand version
 
write ''filename''.lol
 
can be used if the filename extension is ".lol".

Revision as of 22:52, 3 February 2009

Write lower distance limit file

Parameters

file=filename.lol
(required) The name of the output lower distance limit file. The default filename extension ".lol" 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 lower distance limits in the standard distance restraint file format of the program CYANA, or optionally in XPLOR format.

Instead of the command

write lol filename.lol

the shorthand version

write filename.lol

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