#!/usr/bin/env sh
# convert a plain txt data file with 4 numerical columns (atom type,x,y,z)
# into a valid xyz file
# commented lines in the original data file are omitted
tmp=$(mktemp)
cat $@ > $tmp

grep -v "^#" $tmp | wc -l
echo "# converted by $0"
awk '/^[^#]/{print $1,$2,$3,$4}' $tmp

trap "rm $tmp" SIGINT SIGTERM SIGUSR1 EXIT