Global Variables
NMRView provides some built-in global variables. These can be accessed in
TCL scripts.
- curr_list
- An integer number specifying the current peak list (the one selected in
the peak analysis panel.
- curr_peak
- An integer number specifying the current peak (the one selected in
the peak analysis panel.
- int_flag
- This flag is set whenever a ctrl/c is typed in the shell window in
which NMRView is started. It can be tested in scripts to interrupt
processing.
- Nv_Natoms
- The number of atoms in the current structure. READ ONLY.
- Nv_Nresidues
- The number of residues in the current structure. READ ONLY.
- Nv_Nstructures
- The number of conformations of the current structure. READ ONLY.
- Nv_Structure(i)
- A boolean array variable. The index i refers to the structure number.
If set true (1,true,on) that structure will be used in superpositions and
display. If set false (0,false,off) that structure will not be used in
superpositions and display. READ-WRITE.
If accessed in a TCL procedure you must use the global command.
For example, to list out the x,y and z coordinates of the atoms in the structure
you could use the following procedure. Note the use of the test for the interrupt flag int_flag.
proc listatoms {} {
global Nv_Natoms int_flag
for {set i 1} {$i<=$Nv_Natoms} {incr i} {
if {$int_flag} {
set int_flag 0
return
}
set x [atom -elem x $i]
set y [atom -elem y $i]
set z [atom -elem z $i]
puts stdout $x $y $z
}
}