change_names.sct

#!/bin/bash
alphabet=( {a..z} {A..Z} )
function convertToString(){
    dividend="$1"
    colName=""
    size=${#alphabet[@]}
    while (( dividend > 0 ))
    do
         mod=$(( (dividend-1)%size ))
         colName="${alphabet[$mod]}$colName"
         dividend=$(( (dividend-mod)/size ))
    done
}
#IRMOF10_SG202_Ligand3_202_y.cif
for structure in "202" ; do
 folder=mof_${structure}_cif_gin_all
 cd $folder
  for file in IRMOF10_*.cif ; do
   new_file=$(echo $file | sed 's/IRMOF10_SG202/mof_int/g' | sed 's/Ligand3../li3/g' | sed 's/Ligand4../li4/g' | sed 's/Ligand11../li5/g'| sed "s/label/$structure/g" | sed 's/202/I10/g' )
   echo "$file > $new_file"
   mv $file $new_file
  done 
 cd ..
done
for topology in "202" ; do
 for nlig in 3 4 5 ; do
  h=0
  for file in mof_${topology}_cif_gin_all/mof_int_li${nlig}_I10_?_?.cif ; do
   let h++
   convertToString $h
   mv $file mof_${topology}_cif_gin_all/mof_int_li${nlig}_I10_${colName}.cif
  done
 done
done