The PEST inputs include a template file (.tpl), an input file (.inp), an instruction file (.ins), a parameter value file (.par) and model output file (.out), which were created manually.
Additional information such as extensive experimental data sets, model input and output files, spectroscopic data, and other relevant supplemental materials that assist readers will continue to be provided.
ALC allows the generation of combinatorial network models and produces output files for both M ATLAB and M ATHEMATICA.
Two.CSV files containing the magnetic data and radiocarbon results tables and up to five.TXT files containing model output are available to download via hyperlinks (Additional file 1: Figure S5), depending on the data and models selected to query.
Also, the simulation data include simulation input and output files, intermediate results files, log and error files, associated metadata, etc.
Custom MATLAB R2010a code (The MathWorks Inc., Natwick, MA) was used to read micromotion in model-based RSA 3.2 output files, to analyze the longitudinal migration and inducible displacement data, to generate plots, and to calculate descriptive statistics.
Schematics of the reactions between molecules and molecular complexes are shown in Additional file 2: Figure S13, and general characteristics of the model output are given in Additional file 2: Figures S14 and S15.
As a final step in our PK model development, select the final model again and bundle that model file, the associated result files and output files and the VPC folder into a zip file (Right click → File actions→ Compress to zip-file).
