Source data for the paper "Atomic simulations reveal the mechanism of photoactivation of a carotenoid-binding photoreceptor"

The files contain the data necessary to reproduce the plots shown in the paper "Atomic simulations reveal the mechanism of photoactivation of a carotenoid-binding photoreceptor". data_sh_cis.csv initial and final values for the isomerizind dihedral angles of cis-CAN@NTD data_sh_trans.csv initial and final values for the isomerizind dihedral angles of trans-CAN@NTD data_spectra_env_cis.csv values for the spectra of PPcis (in environment) data_spectra_env_trans.csv values for the spectra of PPtrans (in environment) data_spectra_env_ocpo.csv values for the spectra of OCPo (in environment) data_spectra_vac_cis.csv values for the spectra of PPcis (in vacuum) data_spectra_vac_trans.csv values for the spectra of PPtrans (in vacuum) data_spectra_vac_ocpo.csv values for the spectra of OCPo (in vacuum)