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python program for analyzing isothermal titration calorimetry data
Python C C++
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README.md

pytc

A python software package for analyzing Isothermal Titration Calorimetry experiments. Does Bayesian and ML fitting. Performs global fits to multiple experiments. Has a clean Python API. Designed for easy extension with new models.

Quick Start

Install graphical user interface (most users)

Install API via pip (for Jupyter users)

  • Mac/Linux: sudo pip3 install pytc-fitter
  • Windows: python3 -m pip install pytc-fitter

Clone API from github (for developers, Jupyter users)

git clone https://github.com/harmslab/pytc.git
cd pytc
python3 setup.py install

API demos

  • If jupyter is installed, you can clone the pytc-demos repo to see a collection of example fits.

Example script

Fit a Ca2+/EDTA binding experiment.

import pytc

# Load in integrated heats from an ITC experiment
e = pytc.ITCExperiment("pytc-demos/ca-edta/tris-01.DH",pytc.indiv_models.SingleSite)

# Create the global fitter, add the experiment, and fit
g = pytc.GlobalFit()
g.add_experiment(e)
g.fit()

# Print the results out
g.plot()
g.corner_plot()
print(g.fit_as_csv)
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