pytc: Open-Source Python Software for Global Analyses of Isothermal Titration Calorimetry Data
Author(s) -
Hiranmayi Duvvuri,
Lucas C. Wheeler,
Michael J. Harms
Publication year - 2018
Publication title -
biochemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.43
H-Index - 253
eISSN - 1520-4995
pISSN - 0006-2960
DOI - 10.1021/acs.biochem.7b01264
Subject(s) - isothermal titration calorimetry , python (programming language) , open source , calorimetry , open source software , titration , computer science , chemistry , software , thermodynamics , programming language , physics
Here we describe pytc, an open-source Python package for global fits of thermodynamic models to multiple isothermal titration calorimetry experiments. Key features include simplicity, the ability to implement new thermodynamic models, a robust maximum likelihood fitter, a fast Bayesian Markov-Chain Monte Carlo sampler, rigorous implementation, extensive documentation, and full cross-platform compatibility. pytc fitting can be done using an application program interface or via a graphical user interface. It is available for download at https://github.com/harmslab/pytc .
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