Metadata-Version: 2.4
Name: MD2NMR
Version: 0.0.6
Summary: 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.
Home-page: https://github.com/HoufangZhang/MD2NMR
Author: Tiejun Wei and Houfang Zhang
License-File: LICENSE
Requires-Dist: numpy==2.2.6
Requires-Dist: pandas==2.3.3
Requires-Dist: scikit-learn==1.7.2
Requires-Dist: scipy==1.15.3
Requires-Dist: MDAnalysis==2.9.0
Requires-Dist: matplotlib==3.4.3
Requires-Dist: setuptools==65.5.0
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