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Computer programs are under development aid in the understanding of extra-solar planet atmospheres, i.e., computerized atmospheric models that relate atmospheric composition to observations.
Transmission spectroscopy observations of transiting planets, direct imaging yielding some emission spectra, and spectra from exoplanet eclipse light curves of transiting planets provide the information. Computer models use spectral information about compounds such as HITRAN, radiative transfer models to confirm, and possibly statistical methods to "zero in" on possible compositions consistent with observations of a particular planet.
Examples of software (codes) for modeling planet atmospheres include CHIMERA, PETIT, SCARLET, and NEMESIS.