Reference Guide

Paramagnetic module

This module handles the paramagnetic centre by defining the magnetic susceptibility tensor and methods for PCS, RDC and PRE calculations.

• paramagpy.metal

Protein module

This module handles the protein structure coordinates and includes methods for loading a PDB file and calculating atomic properites such as CSA or gyromagnetic ratio

• paramagpy.protein

Data I/O module

This module handles the reading and writing of experimental data.

• paramagpy.dataparse

Fitting module

This module handles the fitting of paramagnetic objects to experimental data.

paramagpy.fit