Dear forum members,
My question is simple. I want to pass a single quote (') to be read as belonging as an addition to the letters C1', C2', C3', C4', C5', O1', O2', O3', O4' & O5' to the program voronota query-contacts
which would be run through shell script and should print out numerical values. I tried writing C1\', C2\', C3\', etc. but am getting no results (blank when I am expecting numbers). Thus the question is how could I pass these letters with a single quote as an argument to voronota query-contacts
command? The script is this:
#!/bin/bash
read -p "amino acid: " AAA
if [[ "ALA ARG ASN ASP CYS GLN GLY GLU HIS ILE \
LEU LYS MET PHE PRO SER THR TRP TYR VAL" =~ $AAA ]]
then
for i in HS_*.pdb;
do
cat $i | voronota get-balls-from-atoms-file --annotated \
| voronota calculate-contacts --annotated \
| voronota query-contacts --inter-residue --match-first "'R<$AAA>'" \
--match-second 'A<C1', C2' ,C3' ,C4' ,C5',O1 , O2, O3, O4, O5, O1',O2',O3',O4',O5',N1,N2,N3,C1,C2,C3,C4,C5>' \
| awk '{sum += $3} END {print sum}'
done
else
exit 1
fi
The output through command line in all the ways described I get is a blank one:
Thank you very much for your help. I will look forward to your responses.
Yours Sincerely,
Aurimas