{"id":301,"date":"2023-02-28T13:59:56","date_gmt":"2023-02-28T11:59:56","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/software\/"},"modified":"2026-10-13T11:20:46","modified_gmt":"2026-10-13T09:20:46","slug":"software","status":"publish","type":"page","link":"https:\/\/webs.uab.cat\/molbiomed\/en\/software\/","title":{"rendered":"Software"},"content":{"rendered":"\n
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01<\/p>\n\n\n\n

Easy MD Analysis (EMDA)<\/strong><\/p>\n\n\n\n

Easy MD Analysis (EMDA) is a Python package built on MDAnalysis with the aim of providing an easy yet powerful way to analyse MD simulations.<\/p>\n\n\n\n

If you want to use it, click here<\/a>.<\/p>\n\n\n\n

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Miquel Canyelles Ni\u00f1o<\/strong><\/p>\n<\/div><\/div>\n<\/div>

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02<\/p>\n\n\n\n

RCBS.py <\/strong><\/p>\n\n\n\n

RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package containing several scripts, functions and classes that simplify the analysis of chemical and biochemical simulations.<\/p>\n\n\n\n

If you want to use it, click here<\/a>.<\/p>\n\n\n\n

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Miquel Canyelles Ni\u00f1o<\/strong><\/p>\n<\/div><\/div>\n<\/div>

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03<\/p>\n\n\n\n

AMBER parameters<\/strong><\/p>\n\n\n\n

Repository of parameter and charge files (frcmod and mol2) for the substrates used in our lab. All available files are organised in folders depending on whether they correspond to an enzyme, a substrate or the combination of both from a docking simulation.<\/p>\n\n\n\n

If you want to use it, click here<\/a>.<\/p>\n\n\n\n

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Miquel Canyelles Ni\u00f1o<\/strong><\/p>\n<\/div>\n\n\n\n

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\u00c1lex P\u00e9rez S\u00e1nchez<\/strong><\/p>\n<\/div>\n<\/div>\n<\/div>

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01 Easy MD Analysis (EMDA) Easy MD Analysis (EMDA) is a Python package built on MDAnalysis with the aim of providing an easy yet powerful way to analyse MD simulations. If you want to use it, click here. Miquel Canyelles Ni\u00f1o 02 RCBS.py RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package containing several scripts, […]<\/p>\n","protected":false},"author":2580,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-301","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/pages\/301","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/comments?post=301"}],"version-history":[{"count":24,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/pages\/301\/revisions"}],"predecessor-version":[{"id":3568,"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/pages\/301\/revisions\/3568"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/en\/wp-json\/wp\/v2\/media?parent=301"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}