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MD2NMR

Tools for calculating NMR relaxation observables (R1/R2/NOE/T1/T2/Tau_c) directly from MD trajectories. Initially written for calculations regarding nucleosome simulations but can be extended for oth…

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install md2nmr

Dependencies

• mdanalysis
• matplotlib
• setuptools
• numpy
• scipy
• scikit-learn
• pandas

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
0.0.8	2025-11-13
md2nmr-0.0.8-py3-none-any.whl (2 KB)
0.0.6	2025-11-12
md2nmr-0.0.6-py3-none-any.whl (2 KB)
0.0.5	2023-04-06
MD2NMR-0.0.5-py3-none-any.whl (2 KB)
0.0.4	2023-03-23
MD2NMR-0.0.4-py3-none-any.whl (2 KB)
0.0.3	2023-01-31
MD2NMR-0.0.3-py3-none-any.whl (2 KB)
0.0.2	2023-01-31
MD2NMR-0.0.2-py3-none-any.whl (2 KB)
0.0.1	2023-01-30
MD2NMR-0.0.1-py3-none-any.whl (2 KB)

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