CYANA Command: atoms set protlev: Difference between revisions
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Used to set the protlev parameter of selected atoms for eNOE calculations. 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. | Used to set the protlev parameter of selected atoms for eNOE calculations. 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. | ||
The '''protlev''' parameter | 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 schemes | 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 schemes, see * [[CYANA Command: enoe spindiff |enoe spindiff]] | ||
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. 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.
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 schemes, see * enoe spindiff