Electronic circular dichroism (CD) spectroscopy has emerged as a powerful tool for studying the conformational properties of DNA. The ability to accurately calculate and predict CD spectra for DNA structures is crucial for interpreting experimental data and gaining deeper insights into DNA conformations and dynamics. One of the fundamental challenges in calculating CD spectra for DNA lies in the complexity of the molecular system. As highlighted by Kypr et al., DNA can adopt a variety of conformations, including the B-family of structures, A-form, Z-form, guanine quadruplexes, cytosine quadruplexes, and triplexes. Each of these structures exhibits distinct CD spectral signatures, making the accurate calculation of CD spectra a non-trivial task. In addition to the nucleobases, sugars and phosphate groups can also play a role and need to be considered for a proper evaluation of the CD signal.