GEMsME User Manual is provided in pdf.
A simplified manual is summarized below.
Click on Reconstruction in the menu bar to open Model databases and Reference databases.
Right click on Model databases to Import SBML file (.xml) or to Import spreadsheets (.xls), you can import a metabolic model in SBML/spreadsheet format as described in Metabolic Models.
You can directly edit/update the content of the imported model.
Right click on Reference databases to Import database (.xls), you can import a reference database provided in Reference Databases to create your own reference database.
You can add the information about metabolites and reactions described in a model to the reference database by right clicking on the metabolic model to add rxn&met to the Ref. DB.
A draft reconstruction can be generated by mapping a blank reconstruction outputed by GBKParser, containing gene information only, to a reference reconstruction. You just simply right click on the blank reconstruction to Draft a reconstruction
GEMsME will extract the reactions whose associated orthologous genes are present in the target organism and obey Boolean statements as described in the reference reconstruction.
You can right click on a model to Generate simulation tables, so that a mathematical model including a stoichiometric matrix which describes the connectivity feature of the network as well as default systems boundaries can be generated.
With the generated simulation tables, you can identify dead-end metabolites.
Then, you can right click on the model with simulation tables to Define environmental conditions, e.g. the complete medium to simulate all extracellular metabolites can enter/exit the cell freely.
Click on Simulation in the menu bar to perform the analyses implemented in GEMsME including
Select a metabolic model and a map (if you have), GEMsME can identify dead-end metabolites and tag them with crosses in the map.
Select a metabolic model and a map (if you have) for objective optimization, the flux result can be visulized in the map.
Select a metabolic model and
Select a metabolic model and a map (if you have) for flux variability analysis, the min and max fluxes of reaction can be plotted in the map and the blocked reaction are tagged with crosses.
Select a metabolic model for essentiality analysis, the computational essential genes or reactions can be identified.
Select a metabolic model for gene deletion analysis, the gene-deletion model can be saved and imported for further evaluation.
Click on Visualization in the menu bar to open Maps wherein you can create metabolic maps.
Right click on Maps to Create new map. You can add maps, reactions, metaboltes and lines to create a map onto the main network view window.
Right click on Maps to Load KEGG maps by either Import KEGG map (.xml) or Retrieve KEGG map.
With two lists for metabolite and reaction mapping, you can right click on a map to Replace caption of nodes to convert the map to a customized map.
Right click on a map to Extract reaction information from a model and choose a model you want to extract information from. Then you can show the extra information of reaction in the map by right clicking a reaction to Show extra info..
Right click on a map to Load reaction fluxes, the reaction fluxes were be laid on the reactions in the map.
Right click on a map to Load gene expressions, the gene expressions were be superimposed around the associated reactions in the map.