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.

• Full documentation
• Graphical User Interface

Quick Start

• Install via pip sudo pip3 install pytc-fitter (Mac/Linux), python3 -m pip install pytc-fitter (Windows)
• Alternatively, clone from github and install

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

• 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)

Release Notes

v1.0

Initial release of pytc. Implemented individual and global fits.