Hello I have many pdb files and I am trying to find full formula of an ligand in each pdb file without considering brackets?
So, I know that under
FORMUL I can find a formula with considering brackets.
If the formula is
10(C5 N10 O5 H1) I need this version
C50 N100 O50 H10. Or in other way how can I do this calculation for number of files?