nv_noe

The "noe" command is used to manipulate the noe list by setting and retrieving parameters, as well as generateing constraint lists for XPLOR and PEGASUS. The arguments used depend on the particular option, as described below. The "nv_noe" command can take any of the following forms:

noe extract peakList ? scaleVal ?

Search the specified 'peakList' for entries that have two named protons. For each such peak enter an noe into the noe list. If the optional argument 'scaleVal' is specified, set the scale value for that NOE to the specified value.

noe check

Check the noes in the noe list and inactivate those that are between protons that have a fixed distance, or where the maximum distance is less than the upper bound.

noe clear

Clear the noe list.

noe n

Returns the number of noes in the noe list.

noe uniq

Inactivate duplicate noes. In the current version of the software the most intense peak is retained.

noe elem elemSpecifier iNoe ? value ?

Returns the value of the the element specified with the 'elemSpecifier' for the NOE specified with the iNOE argument. If the optional 'value' argument is specified the comand sets the noe's element to that value. The valid 'elemSpecifiers' : int The peak intensity of the peak this noe came from. vol The peak volume of the peak this noe came from. scale The scale value for this noe. low The lower bound for this noe. upper The upper bound for this noe. pseudo The pseudoatom correction appropriate for this noe. list The peaklist number that this noe came from. number The peak number that this noe came from. stereo.0 The stereo specificity of the first atom of this noe. stereo.1 The stereo specificity of the second atom of this noe. res.0 The residue number of the first atom of this noe. res.1 The residue number of the second atom of this noe. aname.0 The atom name of the first atom of this noe. aname.1 The atom name of the second atom of this noe. pname.0 The atom name of the first atom of this noe, with wild carding for the stereo specificity. pname.1 The atom name of the second atom of this noe, with wild carding for the stereo specificity. active Set to "1" if noe will be used to generate a constraint. Set to "0" if noe will not be used to generate a constraint.