Hindered rotation around single bonds resulting in axial chirality is an important structural motif in catalysts and pharmaceuticals. The barrier height may not always be straightforward to estimate experimentally and doing so computationally in a high throughput sense with minimal human involvement may significantly facilitate pre-screening of synthetic candidates before their experimental evaluation. The workflow started with the CDXML file containing the necessary molecular fragments which was deliberately constructed to mimic the original figure as closely as possible (Figure ). Parsing the CDXML files with the help of molli results in the MoleculeCollection file that was subsequently subjected to the computational pipeline.