{"id":302,"date":"2023-02-28T13:59:56","date_gmt":"2023-02-28T11:59:56","guid":{"rendered":"https:\/\/webs.uab.cat\/dmrqb\/software\/"},"modified":"2026-10-13T11:20:42","modified_gmt":"2026-10-13T09:20:42","slug":"software","status":"publish","type":"page","link":"https:\/\/webs.uab.cat\/molbiomed\/es\/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) es un paquete de Python basado en MDAnalysis creado con el objetivo de ofrecer una manera f\u00e1cil pero potente de realizar an\u00e1lisis de simulaciones MD.<\/p>\n\n\n\n

Si quer\u00e9is utilizarlo, haced clic aqu\u00ed<\/a>.<\/p>\n\n\n\n

\"\"<\/figure>
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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) es un paquete de Python que contiene varios scripts, funciones y clases que simplifican el an\u00e1lisis de simulaciones qu\u00edmicas y bioqu\u00edmicas.<\/p>\n\n\n\n

Si quer\u00e9is utilizarlo, haced clic aqu\u00ed<\/a>.<\/p>\n\n\n\n

\"\"<\/figure>
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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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03<\/p>\n\n\n\n

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

Repositorio para depositar archivos de par\u00e1metros y cargas (frcmod y mol2) de los sustratos utilizados en nuestro laboratorio. Todos los archivos disponibles se distribuyen en carpetas seg\u00fan correspondan a una enzima, a un sustrato o a la combinaci\u00f3n de ambos a partir de una simulaci\u00f3n de acoplamiento.<\/p>\n\n\n\n

Si quer\u00e9is utilizarlo, haced clic aqu\u00ed<\/a>.<\/p>\n\n\n\n

<\/div>\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) es un paquete de Python basado en MDAnalysis creado con el objetivo de ofrecer una manera f\u00e1cil pero potente de realizar an\u00e1lisis de simulaciones MD. Si quer\u00e9is utilizarlo, haced clic aqu\u00ed. Miquel Canyelles Ni\u00f1o 02 RCBS.py RCBS.py (Reactivity of Chemical and Biochemical Systems) es un paquete de Python […]<\/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-302","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/302","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/users\/2580"}],"replies":[{"embeddable":true,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/comments?post=302"}],"version-history":[{"count":24,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/302\/revisions"}],"predecessor-version":[{"id":3564,"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/pages\/302\/revisions\/3564"}],"wp:attachment":[{"href":"https:\/\/webs.uab.cat\/molbiomed\/es\/wp-json\/wp\/v2\/media?parent=302"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}