CYANA Command: enoe restraint

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Revision as of 12:28, 21 January 2019 by Dean (talk | contribs)
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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