CYANA Command: enoe init

From CYANA Wiki
Revision as of 11:25, 17 January 2019 by Dean (talk | contribs)
Jump to navigation Jump to search

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"

, 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.

Retrieved from "https://cyana.org/w/index.php?title=CYANA_Command:_enoe_init&oldid=8856"