Hello. I want to know whether it is possible to run COSMOtherm program from MATLAB and Python? I want to automate the computation of Henry's constant of a solute in Ionic liquid by:

- calling COSMOtherm from MATLAB / Python,

- then running the computation in COSMotherm.

- and finally reading the output file.

For example: I have the below COSMOtherm input file:

====== ctd = BP_TZVP_23.ctd cdir = "C:\Program Files\BIOVIA\COSMOtherm2023\COSMOthermX\..\COSMOtherm\CTDATA-FILES" ldir = "C:\Program Files\BIOVIA\COSMOtherm2023\COSMOthermX\..\licensefiles" notempty wtln ehfile !! generated by COSMOthermX !! f = "1-butyl-3-methyl-imidazolium_cation_c0.cosmo" fdir="C:\Program Files\BIOVIA\BIOVIA_2023.BIOVIA_COSMObase_2023\COSMObase2023\BP-TZVP-COSMO\1" Comp = "1-butyl-3-methyl-imidazolium_cation" [ VPfile f = "1-butyl-3-methyl-imidazolium_cation_c1.cosmo" fdir="C:\Program Files\BIOVIA\BIOVIA_2023.BIOVIA_COSMObase_2023\COSMObase2023\BP-TZVP-COSMO\1" ] f = "pf6_anion_c0.cosmo" fdir="C:\Program Files\BIOVIA\COSMOtherm2023\COSMOtherm\DATABASE-COSMO\BP-TZVP-COSMO\p" VPfile f = "difluoromethane_c0.cosmo" fdir="C:\Program Files\BIOVIA\BIOVIA_2023.BIOVIA_COSMObase_2023\COSMObase2023\BP-TZVP-COSMO\d" VPfile henry xh={ 0.5 0.5 0 } tk=303.15 GSOLV # Automatic Henry Law coefficient Calculation

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As you can see, in this example, I am interested in computing the henry's constant of difluoromethane in an Ionic liquid that is constructed by 1-butyl-3-methyl-imidazolium_cation and pf6_anion. After reading this input file (in MATLAB or Python), I want to know how to call and run the COSMOtherm program from MATLAB/Python to compute the Henry's constant, and then read the output file. I checked COSMotherm manual and user guide but did not see a way where it shows how to automate such tasks in MATLAB or Python. Could you please help me with any idea/link/resource/suggestion? Many thanks!