CYANA Command: enoe init: Difference between revisions

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== Description ==
== Description ==


Sets new names for the residues, dihedral angles, and atoms in the residue library that are matched by the given atom and/or angle ''selection''.
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 new names for residues, 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 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"
, 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.
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 11:23, 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" , 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.

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