nmr_sims
NMR simulations in Python.
Some rather simple simulations of basic NMR pulse sequences.
Everything uses the Zeeman basis in Hilbert space, so nothing too fancy is possible.
Currently have pulse-acquire, 2DJ, and HSQC code available.
Install with $pip install nmr-sims
To get started, take a look at (and run) $python -m nmr_sims pa, $python -m nmr_sims jres or $python -m nmr_sims hsqc.
Metadata
Release files for nmr-sims 0.0.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| nmr_sims-0.0.6.tar.gz | 108.9 kB | Without provenance | Details for nmr_sims-0.0.6.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| nmr_sims-0.0.6-py3-none-any.whl | Python 3 | none | any | Details for nmr_sims-0.0.6-py3-none-any.whl |
Total release size: 135.3 kB
Release files / nmr_sims-0.0.6.tar.gz
| Download URL | nmr_sims-0.0.6.tar.gz |
|---|---|
| Size | 108.9 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
62d5afd5a084e7a75ba488590b1e6e608bc0ce1eae5a075b7434ef2addbd89f0
|
|
BLAKE2b-256 checksum How to use checksums |
6f852dbc2e2881b43e19f4410fcf82f9c8090f5c53d5b699149827efaff2b353
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.0 CPython/3.8.10
|
Release files / nmr_sims-0.0.6-py3-none-any.whl
| Download URL | nmr_sims-0.0.6-py3-none-any.whl |
|---|---|
| Size | 26.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
9e56644c52ad78b908e8ea3d2b63f66981604bfbe4333c628b1a9a263b4b7ed9
|
|
BLAKE2b-256 checksum How to use checksums |
34b96cd9e21bfd1060e12256a46d95145edf527733cda37ab7cbebda34f4738f
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.0 CPython/3.8.10
|
Security for nmr-sims 0.0.6
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
To learn more about protecting yourself from malicious actors, visit our package security documentation.