Metadata-Version: 2.4
Name: MD2NMR
Version: 0.0.8
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/CCNU-COMPBIO/MD2NMR
Author: Tiejun Wei and Houfang Zhang
License-File: LICENSE
Requires-Dist: numpy<3.0,>=1.21
Requires-Dist: pandas<3.0,>=1.3
Requires-Dist: scikit-learn<2.0,>=1.0
Requires-Dist: scipy<2.0,>=1.7
Requires-Dist: MDAnalysis<3.0,>=2.8
Requires-Dist: matplotlib<4.0,>=3.4
Requires-Dist: setuptools>=61.0
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