NAME

       cdkrecharge - adjust charges in SMILES

DESCRIPTION

       Redistribute  charges  on  haloanions  so that charge is placed on central atom, not on periferal halogen
       atoms; e.g.  '[B](F)(F)(F)[F-]' is transformed to '[B-](F)(F)(F)F'.

       USAGE

              cdkrecharge < input.smi cdkrecharge inputs*.smi

   OPTIONS:

       -k,  --kekulise

              Attempt to "kekulise" aromatic smiles (default)

       -k-, --dont-kekulise, --do-not-kekulise

              Do not "kekulise" aromatic smiles, leave input as it is

       --smiles c1ccccc1

              Specify SMILES string to redistribute charges instead of reading input files

       --version
              Print program version and exit

       --help Print short help message (this message) and exit

cdkrecharge version 0.3.0                          March 2025                                     CDKRECHARGE(1)