MD2NMR

Release 0.0.3

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 other proteins/complexes. version 0.0.5: 1.Updated with downloading testing MD traj on zenodo: https://zenodo.org/record/7806382 and a new readme file for testing different MD traj. 2. Updated a new function allowing user to select residues with use_chain_id option in config.py file.

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Install
pip install MD2NMR==0.0.3

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5
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Releases

0.0.4
0.0.5
0.0.3
0.0.2
0.0.1

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