Software Open Access
Brethomé, Alexandre;
Fletcher, Stephen P.;
Paton, Robert S.
{ "description": "<p>First public release of wSterimol - a series of plugins to automate the calculation of Boltzmann-weighted multidimensional Sterimol parameters for conformationally-flexible substituents</p>", "license": "https://opensource.org/licenses/MIT", "creator": [ { "affiliation": "University of Oxford", "@type": "Person", "name": "Brethom\u00e9, Alexandre" }, { "affiliation": "University of Oxford", "@type": "Person", "name": "Fletcher, Stephen P." }, { "affiliation": "Colorado State University", "@id": "https://orcid.org/0000-0002-0104-4166", "@type": "Person", "name": "Paton, Robert S." } ], "url": "https://zenodo.org/record/1434440", "codeRepository": "https://github.com/bobbypaton/wSterimol/tree/v.1.0.3", "datePublished": "2018-09-24", "version": "v.1.0.3", "keywords": [ "sterimol", "steric parameters", "cheminformatics", "pymol plugin", "physical organic chemistry" ], "@context": "https://schema.org/", "identifier": "https://doi.org/10.5281/zenodo.1434440", "@id": "https://doi.org/10.5281/zenodo.1434440", "@type": "SoftwareSourceCode", "name": "wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents" }
All versions | This version | |
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Views | 278 | 275 |
Downloads | 19 | 19 |
Data volume | 19.0 MB | 19.0 MB |
Unique views | 263 | 260 |
Unique downloads | 15 | 15 |