- peakSpecifier
- Used in many peak commands the peakSpecifier has the format
peakList.peakNumber.peakDim. The peakList term specifies the
the peak list and may be either a name or a number (integer). If it is
a number it specifies the peak list in
order of the entries in the peak list pull down menus. The first
peak list is number 0. The peakNumber argument specifies the
particular peak within the list, and is always a number (integer).
The peakDim argument is optional. It is used in link commands to specify the dimension of the peak that is to be linked.
Examples of valid peakSpecifiers are: noesy.35, tocsy.3, tocsy.3.1 or 2.300
- atomSpecifier
- The format described here should be used throughout NMRView when
specifying particular atoms. For example, it should be used when
assigning peak label entries in the Peak Analysis panel or specifying
atoms with commands such as calc, atom, display, or match.
For better or worse, it is important to conform to this format, as some internal NMRView
routines expect atoms to be specified in this format.
To properly specify an atom it
should have the format structure:residueNumber.atomName. The structure term
is only necessary when referring to one of the multiple xyz coordinate sets that can be in memory.
Examples of valid atomSpecifiers are:
13.ca, 2.n, 0:1.hb, 5:100.he1.
Ranges and wild carding can be used in appropriate contexts. For example with the
display and match commands. For example: display 3-30.c* on to set
all carbon atoms for residues 3 to 30 (inclusive) to be sent to the MolViewer for
display.