#!/bin/bash
#
# 1_bcf.bash, a bash script for generating Gaussian batch control files from all of the 
# .gjf files in a directory.
#
# Any problems, drop a line.  damian@somewhereville.com, www.somewhereville.com
#

for name in *.gjf ; do
ls $name > $name.temp1
sed "s/$name/$name , $name.log/g" $name.temp1 > $name.temp2
done
cat 3_gaussian_bcf_top4lines.txt *.temp2 > tempbatch.temp3
rm *.temp1
rm *.temp2
sed "s/.gjf.log/.log/g" tempbatch.temp3 > 5_bcf_for_gaussian.bcf
rm tempbatch.temp3