Modified quickmodel to create a csv file of DeltaG and Kd estimates. #118
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With increasing number of ligands or experiments, it was getting difficult to extract DeltaG values and confidence intervals from Quickmodel output files. Especially when we wish to compare estimates between different experiments and different runs of quickmodel analysis. For example, diffusion experiment results with 8 ligands and 4 time points.
To eliminate the burden of organizing these values in tables manually, I added a csv table output to
quickmodel.py
, which has DeltaG and K_d estimates and uncertainties for all the experiments in a plate.I also made a minor change to json output file names to eliminate space and ":" from the file names.