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Bayesian: prerequrest: progressbar json numpy matplotlib multiprocessing scipy input file: bayesian.json: controling file for bayesian in json format "conformation_name" : list of conformation names according to theoretical data "number_experimental_data" : number of experimental data included "number_states" : number of sub-states "number_steps" : number of steps for MCMC "prior" : prior type (RC or MD) "step_width" : step size for MCMC experimental.json: experimental results in json format "exp_mean" : list of experimental data "exp_sd" : standard deviation for experimental data theoretical.json: theoretical results in json format "md_mean" : list of MD prior for each sub-states "md_sd" : list of MD stadard deviation for each sub-states "theo_mean" : matrixs of theoretical calculated experimental variables for each conformation "theo_sd" : standard deviation for each theoretical calculated experimental data usage: Bayesian.py [-h] [-p {serial,parallel}] [-i IN_DIR] [-o OUT_DIR] optional arguments: -h, --help show this help message and exit -p {serial,parallel}, --mp {serial,parallel} Using single processor or parallel, default is single -i IN_DIR, --in_dir IN_DIR input directory, (default is local directory)) -o OUT_DIR, --out_dir OUT_DIR output directory, (default is local directory)) output: posterior_MCMC.txt.npy: MCMC output in numpy format Bayesian_posterior_hist.png: figure of posterior distribution print out on screen: summary of input data, progress of process, summary of posterior, chi^2
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Bayesian framework for bio-molecules
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