{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T23:17:25Z","timestamp":1791328645346,"version":"4.3.1"},"reference-count":10,"publisher":"Oxford University Press (OUP)","issue":"13","license":[{"start":{"date-parts":[[2016,10,12]],"date-time":"2016-10-12T00:00:00Z","timestamp":1476230400000},"content-version":"vor","delay-in-days":227,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2016,7,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Summary: Complex formation and conformational transitions of biological macromolecules in solution can be effectively studied using the information about overall shape and size provided by small angle X-ray scattering (SAXS). Hybrid modeling is often applied to integrate high-resolution models into SAXS data analysis. To facilitate this task, we present SASpy, a PyMOL plugin that provides an easy-to-use graphical interface for SAXS-based hybrid modeling. Through a few mouse clicks in SASpy, low-resolution models can be superimposed to high-resolution structures, theoretical scattering profiles and fits can be calculated and displayed on-the-fly. Mouse-based manual rearrangements of complexes are conveniently applied to rapidly check and interactively refine tentative models. Interfaces to automated rigid-body and flexible refinement of macromolecular models against the experimental SAXS data are provided.<\/jats:p>\n               <jats:p>Availability and implementation: SASpy is available as open source at: github.com\/emblsaxs\/saspy\/. Working installations of both PyMOL (www.pymol.org) and ATSAS (www.embl-hamburg.de\/biosaxs\/download.html) are required.<\/jats:p>\n               <jats:p>Contact: \u00a0apanjkovich@embl-hamburg.de or svergun@embl-hamburg.de<\/jats:p>","DOI":"10.1093\/bioinformatics\/btw071","type":"journal-article","created":{"date-parts":[[2016,3,1]],"date-time":"2016-03-01T01:49:28Z","timestamp":1456796968000},"page":"2062-2064","source":"Crossref","is-referenced-by-count":41,"title":["SASpy: a PyMOL plugin for manipulation and refinement of hybrid models against small angle X-ray scattering data"],"prefix":"10.1093","volume":"32","author":[{"given":"Alejandro","family":"Panjkovich","sequence":"first","affiliation":[{"name":"European Molecular Biology Laboratory, Hamburg Outstation, EMBL C\/O DESY, Hamburg 22607, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dmitri I.","family":"Svergun","sequence":"additional","affiliation":[{"name":"European Molecular Biology Laboratory, Hamburg Outstation, EMBL C\/O DESY, Hamburg 22607, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2016,2,28]]},"reference":[{"key":"2023020112343743500_btw071-B1","author":"DeLano","year":"2015"},{"key":"2023020112343743500_btw071-B2","doi-asserted-by":"crossref","first-page":"748","DOI":"10.1016\/j.sbi.2013.06.007","article-title":"Impact and progress in small and wide angle X-ray scattering (SAXS and WAXS)","volume":"23","author":"Graewert","year":"2013","journal-title":"Curr Opin Struct Biol"},{"key":"2023020112343743500_btw071-B3","doi-asserted-by":"crossref","first-page":"W478","DOI":"10.1093\/nar\/gku377","article-title":"Enhancing UCSF chimera through web services","volume":"42","author":"Huang","year":"2014","journal-title":"Nucleic Acids Res"},{"key":"2023020112343743500_btw071-B4","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1107\/S0021889801006100","article-title":"MASSHA a graphics system for rigid-body modelling of macromolecular complexes against solution scattering data","volume":"34","author":"Konarev","year":"2001","journal-title":"J. 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Crystallogr"},{"key":"2023020112343743500_btw071-B9","doi-asserted-by":"crossref","first-page":"W540","DOI":"10.1093\/nar\/gkq461","article-title":"FoXS: a web server for rapid computation and fitting of SAXS profiles","volume":"38","author":"Schneidman-Duhovny","year":"2010","journal-title":"Nucleic Acids Res"},{"key":"2023020112343743500_btw071-B10","doi-asserted-by":"crossref","first-page":"768","DOI":"10.1107\/S0021889895007047","article-title":"CRYSOL a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates","volume":"28","author":"Svergun","year":"1995","journal-title":"J. Appl. Crystallogr"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/32\/13\/2062\/49020176\/bioinformatics_32_13_2062.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/32\/13\/2062\/49020176\/bioinformatics_32_13_2062.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,2,1]],"date-time":"2023-02-01T22:46:18Z","timestamp":1675291578000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/32\/13\/2062\/1742843"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,2,28]]},"references-count":10,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2016,7,1]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/btw071","relation":{},"ISSN":["1367-4811","1367-4803"],"issn-type":[{"value":"1367-4811","type":"electronic"},{"value":"1367-4803","type":"print"}],"subject":[],"published-other":{"date-parts":[[2016,7,1]]},"published":{"date-parts":[[2016,2,28]]}}}