#! /bin/bash
# This script reads all *.smi files in the current folder checking if
# the bracket character is present. If it is not, the compound contains only
# elements of the organic subset acting with their standard valence.
# Hence the compound is probably purely organic and the SMILES is very likely
# to be correct. These SMILES are moved to the ../working folder. 
# Usually these SMILES are considered as definitive after a very quick 
# check. 

[ -d ../working ] || mkdir ../working
for i in `ls *.smi` ; do
   cat $i | grep -v [[] && mv $i ../working
done