{"id":11,"date":"2023-02-28T13:59:56","date_gmt":"2023-02-28T11:59:56","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/?page_id=11"},"modified":"2026-10-13T11:20:39","modified_gmt":"2026-10-13T09:20:39","slug":"software","status":"publish","type":"page","link":"https:\/\/webs.uab.cat\/molbiomed\/software\/","title":{"rendered":"Programari"},"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) \u00e9s un paquet de Python basat en MDAnalysis creat amb l’objectiu de proporcionar una manera f\u00e0cil per\u00f2 potent de realitzar an\u00e0lisis de simulacions MD.<\/p>\n\n\n\n

Si el voleu utilitzar, feu clic aqu\u00ed<\/a>.<\/p>\n\n\n\n

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

\"\"<\/figure><\/div>\n<\/div><\/div>\n\n\n\n
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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) \u00e9s un paquet Python que cont\u00e9 diversos scripts, funcions i classes que simplifiquen l’an\u00e0lisi de simulacions qu\u00edmiques i bioqu\u00edmiques.<\/p>\n\n\n\n

Si el voleu utilitzar, feu clic aqu\u00ed<\/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

Repositori per col\u00b7locar fitxers de par\u00e0metres i c\u00e0rregues (frcmod i mol2) dels substrats utilitzats al nostre laboratori. Tots els fitxers disponibles es distribueixen en carpetes en funci\u00f3 de si corresponen a un enzim, substrat o la combinaci\u00f3 d’ambd\u00f3s a partir d’una simulaci\u00f3 d’acoblament.<\/p>\n\n\n\n

Si el voleu utilitzar, feu clic aqu\u00ed<\/a>.<\/p>\n\n\n\n

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\"\"<\/figure>\n<\/div><\/div>\n\n\n\n
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\"\"<\/figure>\n<\/div><\/div>\n<\/div>\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>

\"\"<\/figure><\/div>\n<\/div><\/div>\n","protected":false},"excerpt":{"rendered":"

01 Easy MD Analysis (EMDA) Easy MD Analysis (EMDA) \u00e9s un paquet de Python basat en MDAnalysis creat amb l’objectiu de proporcionar una manera f\u00e0cil per\u00f2 potent de realitzar an\u00e0lisis de simulacions MD. Si el voleu utilitzar, feu clic aqu\u00ed. Miquel Canyelles Ni\u00f1o 02 RCBS.py RCBS.py (Reactivity of Chemical and Biochemical Systems) \u00e9s un paquet Python que […]<\/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-11","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/11","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/comments?post=11"}],"version-history":[{"count":42,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/11\/revisions"}],"predecessor-version":[{"id":3560,"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/pages\/11\/revisions\/3560"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/wp-json\/wp\/v2\/media?parent=11"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}