Calculate NMR relaxation time from molecular dynamics trajectory file
Project description
NMRforMD is a python script to calculate NMR relaxation times from molecular dynamics trajectory files. Used in combination with MDAnalysis, it allows for the analysis of trajectory files from LAMMPS, GROMACS, or AMBER simulation package.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
nmrformd-0.0.1.tar.gz
(5.2 kB
view details)
File details
Details for the file nmrformd-0.0.1.tar.gz.
File metadata
- Download URL: nmrformd-0.0.1.tar.gz
- Upload date:
- Size: 5.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.1.1 pkginfo/1.4.2 requests/2.22.0 setuptools/45.2.0 requests-toolbelt/0.8.0 tqdm/4.30.0 CPython/3.8.10
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | c30385476d6838e090ffaee92b09e5b1a2b4a4a6bd472d29250a383fe9477686 |
|
| MD5 | 4470cf6856c7d9aafa0c1bd027e3502f |
|
| BLAKE2b-256 | 0b022ebc937596fb2b7cd71fc9657b52732a7450a05222aa34cd90256b941d1a |
