Welcome to PyOR’s Documentation!
PyOR (Python on Resonance)
Motto: “Everybody can simulate Magnetic Resonance”
Author: Vineeth Francis Thalakottoor Jose Chacko
Contact: vineethfrancis.physics@gmail.com
Github: https://github.com/VThalakottoor/PyOR
About PyOR
I developed PyOR during the early stages of my postdoc at École Normale Supérieure, Paris, purely for pleasure — to simulate NMR masers/rasers and assist individuals from physics, chemistry, and biology backgrounds in learning and simulating magnetic resonance experiments. PyOR is written entirely in Python because it is free, open-source, and widely accessible.
PyOR is particularly useful for: - Beginners with a basic understanding of matrices, spin operators, and Python programming. - Those interested in coding magnetic resonance pulse sequences and relaxation mechanisms. - Educators using it as a tool to teach NMR principles to undergraduate and graduate students.
Note: While PyOR strives for accuracy, users should watch out for potential numerical inaccuracies and possible errors in theoretical equations.
Requirements
Anaconda (Python Distribution, https://www.anaconda.com/download)
Visual Studio Code (Editor, https://code.visualstudio.com/)
Install ipympl to enable interactive matplotlib features:
`pip install ipympl`
Prerequisites
Basic knowledge of Python programming (especially with SciPy and NumPy).
Familiarity with object-oriented programming (OOP) concepts.
Basic understanding of spin operators.
Recommended Reading
Protein NMR Spectroscopy: Principles and Practice — John Cavanagh et al.
Contents
Source Code
- PyOR Source Code
- Basis Module
- Coherence Filters Module
- Commutators Module
- Crystal Orientation Module
- Density Matrix Module
- Evolution Module
- Fitting Module
- Gamma Module
- Hamiltonian Module
- Hard Pulse Module
- Maser Data Analyzer Module
- Nonlinear NMR Module
- Particle Module
- Phase Cycle Module
- Physical Constants Module
- Plotting Module
- Probability Density Functions Module
- Quadrupole Moment Module
- Quantum Library Module
- Quantum Object Module
- Quantum System Module
- Relaxation Module
- Rotation Module
- Signal Processing Module
- Spherical Tensors Module
- Spin Quantum Number Module