CYANA Command: atoms set protlev: Difference between revisions
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[[CYANA Commands|back to complete commands list]] | |||
== Parameters == | == Parameters == | ||
; selection=''[[atom selection]]'': (default: ''none'') | ; selection=''[[atom selection]]'': (default: ''none'') | ||
; protlev='' | ; protlev =''real'': (default: ''0'') | ||
== Description == | |||
Used to set the protlev parameter of selected atoms for eNOE calculations. | |||
= | The '''protlev''' parameter is be used to account for D2O exchange of amide atoms in solution, i.e. protlev=0.97 for D2O exchange in a buffer solution containing 3% D2O. | ||
For spin diffusion calculations using the TSS approach, the protlev parameter is used to account for versatile labeling patterns, such as used in methyl labeling, see * [[CYANA Command: enoe spindiff |enoe spindiff]] | |||
By default, the selection made in the most recent [[CYANA Commands: atoms select|'''atoms select''']] command is used, or all atoms if no selection has been made so far. | |||
Latest revision as of 13:33, 21 January 2019
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Parameters
- selection=atom selection
- (default: none)
- protlev =real
- (default: 0)
Description
Used to set the protlev parameter of selected atoms for eNOE calculations.
The protlev parameter is be used to account for D2O exchange of amide atoms in solution, i.e. protlev=0.97 for D2O exchange in a buffer solution containing 3% D2O. For spin diffusion calculations using the TSS approach, the protlev parameter is used to account for versatile labeling patterns, such as used in methyl labeling, see * enoe spindiff
By default, the selection made in the most recent atoms select command is used, or all atoms if no selection has been made so far.