Metadata-Version: 2.1
Name: MD2NMR
Version: 0.0.4
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/DerienFe/MD2NMR
Author: Tiejun Wei
License-File: LICENSE
Requires-Dist: numpy (==1.23.4)
Requires-Dist: pandas (==1.5.1)
Requires-Dist: scikit-learn (==1.1.3)
Requires-Dist: scipy (==1.9.3)
Requires-Dist: mdtraj (==1.9.7)
Requires-Dist: setuptools (==65.5.0)

