CYANA Command: enoe init: Difference between revisions

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Following the reading of peak lists, this command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation values and I(0), normalizes the cross peak intensities and fits the experimental buildups.
Following the reading of peak lists, this command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation values and I(0), normalizes the cross peak intensities and fits the experimental buildups.


The diagonal peak to use for normalization is specified by the parameter "normalize", using the integers 1 or 2 with the integers referring to the proton dimension in the peak list.
The diagonal peak to use for normalization is specified by the parameter '''normalize''', using the integers 1 or 2 with the integers referring to the proton dimension in the peak list.
The parameter "normed" specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1).  
The parameter '''normed''' specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1).  
The parameter "rhoavg"
The parameter '''rhoavg'''
 
, dihedral angles and atoms are defined by the parameters '''residue''', '''angle''' and '''atom''', respectively. A new residue name is applied to all residue entries for which at least one atom has been selected.
The parameters '''residue''', '''angle''' and '''atom''' can take the special value “'''*'''” to reset the corresponding name to the original name that was read from the library file.

Revision as of 11:26, 17 January 2019

Parameters

normalize=integer
(default: none)
normed =integer
(default: none)
rhoavg =real
(default: none)
time =string
(default: none)

Description

Following the reading of peak lists, this command initializes the eNORA routine, fits the diagonal decays to obtain the auto-relaxation values and I(0), normalizes the cross peak intensities and fits the experimental buildups.

The diagonal peak to use for normalization is specified by the parameter normalize, using the integers 1 or 2 with the integers referring to the proton dimension in the peak list. The parameter normed specifies, if one wants to keep non-normalizable peaks (0) or only peaks that are properly normalized (1). The parameter rhoavg

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