Thermotable computation

Le résumé fourni par la source

Excel file enabling computation of transformed reference chemical potentials. This is an excel file with two sheets. The first and most important of these is a computation facility calculating the transformed chemical potentials of more than 360 compounds of biochemical interest and 1200 forms thereof. This sheet uses the second sheet as the work horse of the computations. The magnitudes of various transformed reference potentials are listed in the file https://fairdomhub.org/data_files/9798, which also gives further details. The present file serves as the code for the computations: in order to perform the computation, set parameter values (only) in the blue box in column 3 of the sheet 'Potentials calculation facility' and then read the values in the green box of column 7. The names of the corresponding chemical species are listed in the first column. Column 7 gives the reference transformed potentials in unit kJ/mol for the condition specified in Header H2-H7 in column 7. Header rows H8-H17B/column 7 define the transformations. Exemplary settings for these switches are given in columns 8-12; column 12 gives the recommended new metabolic reference potentials, column 8 the reference physical chemical potentials. Do not alter any other parameter values in the spreadsheet and preferably work in a copy with a different name. The original name of the file is: WffThermotable computation 260708J It derives from the file named: WffThermotable 260704work copyI. This is a second upload in view of a report (Carsten) that the doi was not visible.

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