# DP4 PLus Solvent Dependence
## Impact of solvent effects on DP4+ assignment
Authors: Ariel M. Sarotti & MarĂa M. Zanardi
>This repository contains all codes and data required to run DP4Plus calculations that let analized the effect of the solvent on DP4+ assignaments.
### Description
>This is a Python program to compute DP4+ probabilities in the stereochemical assignament of new organic compounds in different solvents.
### Installation Requirements
**DP4plus_solv.py** needs python 3.8 or later to work. The module can be installed by console using:
`pip3 install DP4plus_solv`
Usage by console: `DP4plus_solv`
Detail information is given in UserGuide.pdf included in the package. (Direct acces from GUI)
See the [project repository](https://github.com/Sarotti-Lab/DP4plus_solv) for more details.
Raw data
{
"_id": null,
"home_page": "https://github.com/Sarotti-Lab/DP4plus_solv",
"name": "DP4plus-solv",
"maintainer": null,
"docs_url": null,
"requires_python": null,
"maintainer_email": null,
"keywords": "NMR structural elucidation",
"author": "Maria M. Zanardi & Ariel M. Sarotti",
"author_email": "zanardi@rosario-conicet.gov.ar",
"download_url": null,
"platform": null,
"description": "# DP4 PLus Solvent Dependence \r\n\r\n## Impact of solvent effects on DP4+ assignment\r\n\r\nAuthors: Ariel M. Sarotti & Mar\u00eda M. Zanardi \r\n\r\n\r\n>This repository contains all codes and data required to run DP4Plus calculations that let analized the effect of the solvent on DP4+ assignaments. \r\n\r\n### Description\r\n>This is a Python program to compute DP4+ probabilities in the stereochemical assignament of new organic compounds in different solvents.\r\n\r\n\r\n### Installation Requirements\r\n\r\n**DP4plus_solv.py** needs python 3.8 or later to work. The module can be installed by console using:\r\n`pip3 install DP4plus_solv`\r\n\r\nUsage by console: `DP4plus_solv`\r\n\r\n\r\n \r\nDetail information is given in UserGuide.pdf included in the package. (Direct acces from GUI)\r\n\r\n\r\n\r\n\r\nSee the [project repository](https://github.com/Sarotti-Lab/DP4plus_solv) for more details.\r\n\r\n",
"bugtrack_url": null,
"license": "MIT",
"summary": "Solvent DP4+: Impact of solvent effects on DP4+ assignments",
"version": "0.1.9",
"project_urls": {
"Homepage": "https://github.com/Sarotti-Lab/DP4plus_solv"
},
"split_keywords": [
"nmr",
"structural",
"elucidation"
],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "9f4b57b531a8687f61203583f6142159cd803d1988d29552f9806925ffa38d20",
"md5": "3a41c6cc385e77afd07ad642fd610bc9",
"sha256": "789e2808b244c0358874e244239bc2a9a78554205dca2a88548b5d95391aedfe"
},
"downloads": -1,
"filename": "DP4plus_solv-0.1.9-py3-none-any.whl",
"has_sig": false,
"md5_digest": "3a41c6cc385e77afd07ad642fd610bc9",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": null,
"size": 3435927,
"upload_time": "2025-01-06T19:56:39",
"upload_time_iso_8601": "2025-01-06T19:56:39.273957Z",
"url": "https://files.pythonhosted.org/packages/9f/4b/57b531a8687f61203583f6142159cd803d1988d29552f9806925ffa38d20/DP4plus_solv-0.1.9-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2025-01-06 19:56:39",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "Sarotti-Lab",
"github_project": "DP4plus_solv",
"github_not_found": true,
"lcname": "dp4plus-solv"
}