{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,5]],"date-time":"2026-05-05T03:05:26Z","timestamp":1777950326089,"version":"3.51.4"},"update-to":[{"DOI":"10.1371\/journal.pcbi.1010834","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2023,4,12]],"date-time":"2023-04-12T00:00:00Z","timestamp":1681257600000}}],"reference-count":85,"publisher":"Public Library of Science (PLoS)","issue":"3","license":[{"start":{"date-parts":[[2023,3,31]],"date-time":"2023-03-31T00:00:00Z","timestamp":1680220800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["GM125753"],"award-info":[{"award-number":["GM125753"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000052","name":"NIH Office of the Director","doi-asserted-by":"publisher","award":["OD021557"],"award-info":[{"award-number":["OD021557"]}],"id":[{"id":"10.13039\/100000052","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.ploscompbiol.org"],"crossmark-restriction":false},"short-container-title":["PLoS Comput Biol"],"abstract":"<jats:p>Here we introduce chiLife, a Python package for site-directed spin label (SDSL) modeling for electron paramagnetic resonance (EPR) spectroscopy, in particular double electron\u2013electron resonance (DEER). It is based on <jats:italic>in silico<\/jats:italic> attachment of rotamer ensemble representations of spin labels to protein structures. chiLife enables the development of custom protein analysis and modeling pipelines using SDSL EPR experimental data. It allows the user to add custom spin labels, scoring functions and spin label modeling methods. chiLife is designed with integration into third-party software in mind, to take advantage of the diverse and rapidly expanding set of molecular modeling tools available with a Python interface. This article describes the main design principles of chiLife and presents a series of examples.<\/jats:p>","DOI":"10.1371\/journal.pcbi.1010834","type":"journal-article","created":{"date-parts":[[2023,3,31]],"date-time":"2023-03-31T18:18:44Z","timestamp":1680286724000},"page":"e1010834","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":66,"title":["chiLife: An open-source Python package for in silico spin labeling and integrative protein modeling"],"prefix":"10.1371","volume":"19","author":[{"given":"Maxx H.","family":"Tessmer","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4255-9550","authenticated-orcid":true,"given":"Stefan","family":"Stoll","sequence":"additional","affiliation":[]}],"member":"340","published-online":{"date-parts":[[2023,3,31]]},"reference":[{"key":"pcbi.1010834.ref001","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1042\/ETLS20170143","article-title":"The contribution of modern EPR to structural biology","volume":"2","author":"G. 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