pychemelt 0.1.17

Add your description here

PyCheMelt

Welcome to PyCheMelt, a python-package to globally analyse protein denaturation data.

Features

• Data Import: Import differential scanning fluorimetry (DSF) data or circular dichroism (CD) data from various instruments, including Nanotemper (Prometheus and Panta), Unchained Labs (AUNTY and UNCLE), Applied Photophysics (SUPR-DSF and Chirascan), and Jasco instruments.
• Thermochemical denaturation of protein monomers: Fit the melting curves obtained at different denaturant agent concentrations to a thermochemical denaturation model to determine the thermodynamic parameters of protein unfolding, such as the melting temperature (T_m), the change in enthalpy (ΔH), and the change in heat capacity (ΔC_p).
• Thermal denaturation of oligomers: Fit the melting curves obtained at different protein concentrations to reversible two-state or three-state unfolding models.

Install for Users

You can install PyCheMelt using pip

pip install pychemelt

Or using uv

uv add pychemelt

Examples

Jupyter notebooks with examples of how to use PyChemelt are available at https://github.com/osvalB/pychemelt_analyses

Install from Source - Development

Run these commands in your shell:

git clone https://github.com/osvalB/pychemelt.git
cd pychemelt
uv sync --extra dev

Verify the installation:

uv run pytest -v

Authors

• Osvaldo Burastero
• Florian Vögele