CYANA Command: enoe restraint: Difference between revisions
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The parameter '''b0field''' is the field strength [MHz]. | The parameter '''b0field''' is the field strength [MHz]. | ||
The parameter '''tauc''' is the overall correlation time [ns]. | The parameter '''tauc''' is the overall correlation time [ns]. | ||
The parameter '''errStereoFlag''' | The parameter '''errStereoFlag''' is set to change the default treatment of non-stereo specifically assigned restraints. errStereoFlag=1 is the default, errStereoFlag=0 turns this feature off. | ||
The parameter '''errStereo''' | The parameter '''errStereo''' is set to override the automatically calculated values based on the difference in spin diffusion (errStereo=-1 , default) for non-stereo specifically assigned restraints, it may be set a user specific percentage. | ||
The parameter '''errUni''' | The parameter '''errUni''' is set to change the default tolerance for uni-directional eNOEs, default is errUni=20. | ||
The parameter '''errMeth''' | The parameter '''errMeth''' | ||
The parameter '''errMethyleneQ''' | The parameter '''errMethyleneQ''' | ||
Revision as of 12:28, 21 January 2019
Parameters
- b0field =real
- (required)
- tauc =real
- (required)
- errStereoFlag =integer
- (default: 1)
- errStereo =real
- (default: -1)
- errUni =real
- (default: 20)
- errMeth =real
- (default: 8.5)
- errMethyleneQ =real
- (default: 5)
- errAro =real
- (default: 11)
- chiN =real
- (default: -1)
- chiNc =real
- (default: -1)
Description
This command converts the experimental distances to restraints for structure calculation.
The parameter b0field is the field strength [MHz]. The parameter tauc is the overall correlation time [ns]. The parameter errStereoFlag is set to change the default treatment of non-stereo specifically assigned restraints. errStereoFlag=1 is the default, errStereoFlag=0 turns this feature off. The parameter errStereo is set to override the automatically calculated values based on the difference in spin diffusion (errStereo=-1 , default) for non-stereo specifically assigned restraints, it may be set a user specific percentage. The parameter errUni is set to change the default tolerance for uni-directional eNOEs, default is errUni=20. The parameter errMeth The parameter errMethyleneQ The parameter errAro The parameter chiN The parameter chiNc