#!/usr/bin/tclsh
#
# This script was provided by Gabriel Cornilescu:
# http://www.nmrfam.wisc.edu/directory.html
#
# G.C. 2012

if {$argc != 1} \
   {
    puts stderr "usage: talos2sparky.tclsh talos.tab"
    exit
   }

set inFile [lindex $argv 0]
set inFileID [open $inFile r]

set assList ""

puts "     Assignment         w1         w2 \n"

while { [eof $inFileID] == 0} \
   {
    gets $inFileID line

    set resID		[lindex $line 0]
    set resName($resID)	[lindex $line 1]
    set atName		[lindex $line 2]
    set shift($resID,$atName) [lindex $line 3]

    if {[lsearch $assList $resID] < 0} \
       {
        append assList "$resID "
       }
   }

foreach i $assList \
   {
    set ass "N-H"
    set assall $resName($i)$i$ass

    if {[info exists shift($i,HN)] == 1} \
       {
        puts [format "%15s %10.3f %10.3f" $assall $shift($i,HN) $shift($i,N)]
       }
   }

exit