Wheelodex » Projects » MD2NMR

MD2NMR

View on PyPI — Reverse Dependencies (0)

0.0.5

MD2NMR-0.0.5-py3-none-any.whl

Wheel Details

Project:	MD2NMR
Version:	0.0.5
Filename:	MD2NMR-0.0.5-py3-none-any.whl
Download:	[link]
Size:	2182
MD5:	`d597336dc3488e1ccb551c531e54879e`
SHA256:	`742b7b96bd416b22c716213c121ee08d6bc65b059ea754c6d9a60a8a2621101b`
Uploaded:	2023-04-06 19:47:16 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version:	2.1
Name:	MD2NMR
Version:	0.0.5
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. 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.
Author:	Tiejun Wei
Home-Page:	https://github.com/DerienFe/MD2NMR
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)
License-File:	LICENSE

[No description]

WHEEL

Wheel-Version:	1.0
Generator:	bdist_wheel (0.40.0)
Root-Is-Purelib:	true
Tag:	py3-none-any

RECORD

Path	Digest	Size
MD2NMR-0.0.5.dist-info/LICENSE	sha256=dfuzyyOGa5HXabsCQOOAOC37ASvg-NPtzUGyZIR7n6U	1085
MD2NMR-0.0.5.dist-info/METADATA	sha256=lhcmIJ8VPhm2u0I8hO7bxzg9gG7iCWeSD-Ak0fkJuMo	845
MD2NMR-0.0.5.dist-info/WHEEL	sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18	92
MD2NMR-0.0.5.dist-info/top_level.txt	sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs	1
MD2NMR-0.0.5.dist-info/RECORD	—	—

top_level.txt

[empty]