NAME

       smi_isomorphism - detect isomorphism between SMILES

DESCRIPTION

       USAGE

              smi_isomorphism [<args>] [<files>]

       DESCRIPTION

              smi_isomorphism reads in files with three tab-separated columns:

              <ID> <SMILES_1> <SMILES_2>

              The  program  then attempts to detect isomorphism between <SMILES_1> and <SMILES_2>
              on  each  line.  If   immediate   isomorphism   is   not   detected,   step-by-step
              simplifications are performed in order to lead both SMILES to isomorphism.

       OPTIONS

       --check-isomorphism
              perform  an extra isomorphism check on molecular entities detected as isomorphic by
              comparing their canonical representations

       --help print usage message and exit