Script to correct connectivity in SDF files via NBO calculations
How to run:
./correct_sdf.py nbo_result.log example.sdf
where nbo_result.log is the output from an NBO calculation (e.g. from Gaussian or Orca etc), and example.sdf is the input SDF file to be corrected.
This will produce the file example_corrected.sdf.
Requires Openbabel/Pybel.
This is under the MIT license, GL HF.