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 by applying tolerances where required and performing pseudo atom expansion in line with expand=1, see

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 is set to select a fresh hold for goodness of fit for output of restraints (experimental fit not corrected for spin diffusion). The parameter chiNc is set to select a fresh hold for goodness of fit for output of restraints (experimental fit corrected for spin diffusion).