More precisely, the reactions rates together with specific Roxadustat concentration reaction identifiers are exported to a .csv file. This format can easily be interpreted by an OVL (OMIX Visualization Language) script in order to equip default network diagrams with markups according to the obtained results. Via OVL scripts it is, for instance, possible to access and change visual properties (color, shape, line width) of network entities or to assign data to them.

The customized metabolic flux charts can then be exported by OMIX into different Inhibitors,research,lifescience,medical bitmap and vector graphic formats such as .png, .jpg and .svg. Within the Flux-P project we currently provide ready-to-use OMIX network diagrams for B. subtilis, C. glutamicum, E. coli, P. putida and S. cerevisiae, along with an OVL script offering two different markup variants: – Visualization of a single result data set, where the line width of the reaction arrows is adjusted to the specific flux. – Visualization of multiple result data sets, where the actual values Inhibitors,research,lifescience,medical of the reactions rates are assigned to the arrows representing the respective reaction (see Figure 5). Figure 5 Metabolic flux charts of the B. subtilis central carbon metabolism. The flux chart presents data from two flux distributions with the reactions rates plotted next to the reaction arrows. The Inhibitors,research,lifescience,medical flux values are

given in mmol gCDW-1 h-1 and are calculated … Note that these OVL scripts work solely on the exported flux distributions, that is, they are completely independent from Flux-P and can be used in other application contexts. In Inhibitors,research,lifescience,medical the future, the visualization of calculated flux Inhibitors,research,lifescience,medical distributions with OMIX shall be integrated more seamlessly into the Flux-P workflow. Depending on the future development of OMIX this will require either the development of a special

plugin or simply the definition of an additional jETI service should OMIX become programmatically or remotely accessible. 2.5. Flux-P: MFA Workflows most with Bio-jETI For Flux-P, we used the Bio-jETI technology [22] to make FiatFlux-Headless functions available as a collection of platform-independent remote services and to build user-specific MFA workflows. Bio-jETI is a framework for service integration and workflow development in the bioinformatics domain that has been used in a number of different projects (cf., e.g., [27,28,29]) and is continuously evolving as new service libraries and service and software technologies become established. It is based on the jETI tool integration platform [24] and the jABC modeling framework [25]. 2.6. Integration of Flux Analysis Services The jETI technology can be used to make file-based command-line or Java applications remotely available.