{"id":2245,"date":"2024-07-18T16:19:19","date_gmt":"2024-07-18T15:19:19","guid":{"rendered":"https:\/\/espressomd.org\/wordpress\/?p=2245"},"modified":"2024-07-18T16:19:20","modified_gmt":"2024-07-18T15:19:20","slug":"pymbe-0-8-0-released","status":"publish","type":"post","link":"https:\/\/espressomd.org\/wordpress\/pymbe-0-8-0-released\/","title":{"rendered":"pyMBE 0.8.0 released"},"content":{"rendered":"\n<p>We are happy to announce the first release of pyMBE (doi:<a href=\"https:\/\/doi.org\/10.5281\/zenodo.12102635\">10.5281\/zenodo.12102635<\/a>), an open-source Python package designed to facilitate the design of custom coarse-grained models of polyelectrolytes, peptides and proteins in ESPResSo. pyMBE extends the ESPResSo API with methods to automate repetitive and error-prone tasks, such as setting up chemical bonds, non-bonded interactions and reaction methods.<\/p>\n\n\n\n<p>pyMBE is maintained by an active community of soft matter researchers with a shared interest in the modeling of weak polyelectrolytes and biomacromolecules. We welcome new users and developers to join the project and contribute new features!<\/p>\n\n\n\n<p>Learn more about pyMBE in our recent publication at The Journal of Chemical Physics (doi:<a href=\"https:\/\/doi.org\/10.1063\/5.0216389\">10.1063\/5.0216389<\/a>), where we outline the main features of pyMBE and show how it can be leveraged in computational soft matter research.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>We are happy to announce the first release of pyMBE (doi:10.5281\/zenodo.12102635), an open-source Python package designed to facilitate the design of custom coarse-grained models of polyelectrolytes, peptides and proteins in ESPResSo. pyMBE extends the ESPResSo API with methods to automate repetitive and error-prone tasks, such as setting up chemical bonds, non-bonded interactions and reaction methods. &hellip; <\/p>\n<p><a class=\"more-link btn\" href=\"https:\/\/espressomd.org\/wordpress\/pymbe-0-8-0-released\/\">Continue reading<\/a><\/p>\n","protected":false},"author":11,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[6],"tags":[],"class_list":["post-2245","post","type-post","status-publish","format-standard","hentry","category-news","item-wrap"],"_links":{"self":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/2245","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/users\/11"}],"replies":[{"embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/comments?post=2245"}],"version-history":[{"count":1,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/2245\/revisions"}],"predecessor-version":[{"id":2246,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/2245\/revisions\/2246"}],"wp:attachment":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/media?parent=2245"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/categories?post=2245"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/tags?post=2245"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}