Workflows for fluxomics in the framework of PhenoMeNal project

In the framework of the PhenoMeNal project and e-infrastructures (www.phenomenal-h2020.eu/home/), two workflows were prepared using previously developed programs for analysis of intracellular fluxes from isotopologue distributions. Isotopologue distributions will be available on data repositories in MetaboLights (www.ebi.ac.uk/metabolights). With this aim, programs were adapted to the workflows, docker container dockerfiles for each program were uploaded to GitHub repositories, added to Jenkins for building the docker images and galaxy wrappers were written for these tools. The resulting workflows included two of the following programs: 1) Midcor, an R-tool for primary ¹³C data correction for natural isotope enrichment; 2) Iso2flux, a Python-tool for steady state analysis of fluxes based on measured distributions of isotopologues; 3) Isodyn, a C-tool for dynamical analysis of fluxes based on time-series measured distributions of isotopologues.