alhashimilab / AG-Simulation

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Polymerase Misincorporation Kinetic Simulations for dA-dGTP

Installation in a Conda environment

An Anaconda environment can be used to easily install the required Python dependendcies. The conda_sim.sh bash script will install the required Python dependencies.

bash conda_sim.sh sim
source activate sim

Usage

python sim.py [input.csv] [# of MC Error Iterations] [Polymerase Model] [Incorporation Model]

A template of the input csv can be created with:

python sim.py -setup

Example data set can be found in 'Example'. The example_input.csv was used with the following command in this example.

python sim.py example_input.csv 200 B Dual

This reads in the rate constants and errors from the example_input.csv file and performed 200 MC error iterations using the rate constants for human polymerase epsilon.

Polymerases:

B = pol Beta

Incorporaiton Model:

Dual = Both ES1 and ES2 can be incorporated.

ES1 = Only ES1 can be incorporated.

ES2 = Only ES2 can be incorporated.

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License:MIT License


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