#! /usr/bin/awk -f

# pdbamb v.1.0
#
# gawk script to convert coordinate files in PDB format to Amber format
# for UHBD calculations.
#
# written by Terence P. Lo
# DEC/96
# TSRI
#modified by M.Nelson, 11/20/97
#
# run with 'pdbamb xxx.pdb > xxx.amb'

{
third_field = $3
count++

first_char = substr($3,1,1)

if (first_char ~ /[^A-Z]/){
   rest_field = substr($3,2)
   third_field = rest_field first_char
}

printf ("ATOM  %5d %-4s %-4s %4d    %8.3f%8.3f%8.3f  1.00 %5.2f\n", \
   count, third_field, $4, $5, $6, $7, $8, $10)
}

# *** FINIS *** T.P. Lo ***