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{ | ||
"description": "<p>Institut de Química Teòrica i Computacional – Universitat de Barcelona (IQTCUB)</p>\n\n<p> </p>\n\n<p><strong>Cosymlib</strong> is a python library for computing continuous symmetry & shape measures (CSMs & CShMs). Although its main aim is to provide simple and ready-to-use tools for the analysis of the symmetry & shape of molecules, many of the procedures contained in <strong>Cosymlib</strong> can be easily applied to any finite geometrical object defined by a set of vertices or a by mass distribution function.</p>\n\n<p>The basic tasks included in the current version of <strong>Cosymlib</strong> are:</p>\n\n<ol>\n\t<li><strong>Molecular structure analysis</strong>\n\n\t<ul>\n\t\t<li>Calculation of Continuous Shape Measures (CShMs)</li>\n\t\t<li>Calculation of Continuous Symmetry Measures (CSMs)</li>\n\t\t<li>Calculation of Continuous Chirality Measures (CCMs)</li>\n\t</ul>\n\t</li>\n\t<li><strong>Electronic structure analysis</strong>\n\t<ul>\n\t\t<li>Pseudosymmetry analysis of molecular orbitals & wavefunctions</li>\n\t\t<li>Continuous Symmetry & Chirality Measures for the molecular electron density</li>\n\t</ul>\n\t</li>\n</ol>", | ||
"license": "https://opensource.org/licenses/MIT", | ||
"license": { | ||
"id": "MIT" | ||
}, | ||
"creator": [ | ||
{ | ||
"affiliation": "University of Barcelona", | ||
"@id": "https://orcid.org/0000-0002-3139-6189", | ||
"@type": "Person", | ||
"orcid": "https://orcid.org/0000-0002-3139-6189", | ||
"name": "Pere Alemany" | ||
}, | ||
{ | ||
"affiliation": "University of Barcelona", | ||
"@type": "Person", | ||
"name": "Efrem Bernuz" | ||
}, | ||
{ | ||
"affiliation": "Donostia International Physics Center (DIPC)", | ||
"@id": "https://orcid.org/0000-0001-5529-2440", | ||
"@type": "Person", | ||
"orcid": "https://orcid.org/0000-0001-5529-2440", | ||
"name": "Abel Carreras" | ||
}, | ||
{ | ||
"affiliation": "University of Barcelona", | ||
"@id": "https://orcid.org/0000-0001-7796-7656", | ||
"@type": "Person", | ||
"orcid": "https://orcid.org/0000-0001-7796-7656", | ||
"name": "Miquel Llunell" | ||
} | ||
], | ||
"url": "https://zenodo.org/record/4925767", | ||
"codeRepository": "https://github.com/GrupEstructuraElectronicaSimetria/cosymlib/tree/v0.9.5", | ||
"datePublished": "2021-06-11", | ||
"version": "v0.9.5", | ||
"keywords": [ | ||
"Cosymlib", | ||
"Symmetry" | ||
"Cosymlib", "Symmetry" | ||
], | ||
"@context": "https://schema.org/", | ||
"identifier": "https://doi.org/10.5281/zenodo.4925767", | ||
"@id": "https://doi.org/10.5281/zenodo.4925767", | ||
"@type": "SoftwareSourceCode", | ||
"name": "Cosymlib: a Python library for continuous symmetry measures" | ||
"title": "Cosymlib: a Python library for continuous symmetry measures" | ||
} |