CYANA Command: enoe restraint
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 is set to change the default tolerance for methyl eNOEs, default is errMeth=8.5. The parameter errMethyleneQ is set to change the default tolerance for methylene pseudo eNOEs, default is errMethyleneQ=5. The parameter errAro is set to change the default tolerance for aromatic eNOEs normalized to a non-aromatic spin, default is errAro=11. The parameter chiN The parameter chiNc