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[MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\r\n\r\n* (c) 2015-2023 [Barcelona Supercomputing Center](https://www.bsc.es/)\r\n* (c) 2015-2023 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\r\n\r\nLicensed under the\r\n[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.\r\n\r\n![](https://bioexcel.eu/wp-content/uploads/2019/04/Bioexcell_logo_1080px_transp.png \"Bioexcel\")" } } } rows { name { value: "encodingFormat" } } rows { quad { p_iri { } o_literal { lex: "application/ld+json" } } } rows { name { value: "hasPart" } } rows { prefix { id: 14 value: "https://w3id.org/ro-id/5a22516f-8ab0-412a-b9c0-cdd64dfa01db/resources/" } } rows { name { 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to illustrate the process of computing a conformational transition between two known structural conformations of a protein, step by step, using the BioExcel Building Blocks library (biobb).\r\n\r\n***\r\n\r\n## Copyright & Licensing\r\nThis software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\r\n\r\n* (c) 2015-2023 [Barcelona Supercomputing Center](https://www.bsc.es/)\r\n* (c) 2015-2023 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/)\r\n\r\nLicensed under the\r\n[Apache License 2.0](https://www.apache.org/licenses/LICENSE-2.0), see the file LICENSE for details.\r\n\r\n![](https://bioexcel.eu/wp-content/uploads/2019/04/Bioexcell_logo_1080px_transp.png \"Bioexcel\")" } 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prefix_id: 15 name_id: 13 } o_literal { lex: "This software has been developed in the [MMB group](http://mmb.irbbarcelona.org) at the [BSC](http://www.bsc.es/) & [IRB](https://www.irbbarcelona.org/) for the [European BioExcel](http://bioexcel.eu/), funded by the European Commission (EU H2020 [823830](http://cordis.europa.eu/projects/823830), EU H2020 [675728](http://cordis.europa.eu/projects/675728)).\r\n\r\n* (c) 2015-2023 [Barcelona Supercomputing Center](https://www.bsc.es/)\r\n* (c) 2015-2023 [Institute for Research in Biomedicine](https://www.irbbarcelona.org/" } } } rows { quad { p_iri { prefix_id: 6 name_id: 10 } o_iri { prefix_id: 12 name_id: 82 } } } rows { quad { p_iri { name_id: 36 } o_literal { lex: "29.59028831562974" } } } rows { quad { p_iri { } o_literal { lex: "19.5" } } } rows { name { value: "c42f77b4-72c1-44b3-9833-5ac728acdfd5" } } rows { quad { s_iri { prefix_id: 16 name_id: 115 } p_iri { prefix_id: 15 name_id: 13 } o_literal { lex: "# Protein Conformational 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quad { p_iri { name_id: 36 } o_literal { lex: "15.526315789473685" } } } rows { quad { p_iri { } o_literal { lex: "11.8" } } } rows { name { value: "d6df512c-48f6-45dc-b985-0b95322bed42" } } rows { quad { s_iri { prefix_id: 16 name_id: 118 } p_iri { prefix_id: 15 name_id: 13 } o_literal { lex: "aim" } } } rows { quad { p_iri { prefix_id: 6 name_id: 10 } o_iri { prefix_id: 12 name_id: 46 } } } rows { quad { p_iri { name_id: 36 } o_literal { lex: "5.921052631578948" } } } rows { quad { p_iri { } o_literal { lex: "4.5" } } } rows { name { value: "e173f9df-3adc-43a1-8d88-2a189f75da87" } } rows { quad { s_iri { prefix_id: 16 name_id: 119 } p_iri { prefix_id: 15 name_id: 13 } o_literal { lex: "BioExcel Building" } } } rows { quad { p_iri { prefix_id: 6 name_id: 10 } o_iri { prefix_id: 12 name_id: 44 } } } rows { quad { p_iri { name_id: 36 } o_literal { lex: "16.265060240963855" } } } rows { quad { p_iri { } o_literal { lex: "8.1" } } } rows { name { value: 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prefix_id: 15 name_id: 13 } o_literal { lex: "BioBB Building Blocks" } } } rows { quad { p_iri { prefix_id: 6 name_id: 10 } o_iri { prefix_id: 15 name_id: 15 } } } rows { name { value: "Project" } } rows { quad { o_iri { name_id: 123 } } } rows { prefix { id: 9 value: "https://w3id.org/np/RARb_gDRU2zNRIyfcGG_mNHesPyDem7RbEnn1C2VfGCmU/" } } rows { prefix { id: 5 value: "http://www.w3.org/ns/prov#" } } rows { name { value: "wasDerivedFrom" } } rows { prefix { id: 14 value: "https://api.rohub.org/api/ros/5a22516f-8ab0-412a-b9c0-cdd64dfa01db/crate/download/" } } rows { quad { s_iri { prefix_id: 9 name_id: 4 } p_iri { prefix_id: 5 name_id: 124 } o_iri { prefix_id: 14 name_id: 95 } g_iri { prefix_id: 9 name_id: 7 } } } rows { prefix { id: 2 value: "https://w3id.org/np/" } } rows { name { value: "created" } } rows { datatype { value: "http://www.w3.org/2001/XMLSchema#dateTime" } } rows { quad { s_iri { prefix_id: 2 name_id: 1 } p_iri { prefix_id: 13 name_id: 125 } o_literal { lex: "2025-11-11T16:09:15.205+01:00" datatype: 2 } g_iri { prefix_id: 9 name_id: 9 } } } rows { prefix { id: 10 value: "http://purl.org/nanopub/x/" } } rows { name { value: "introduces" } } rows { quad { p_iri { prefix_id: 10 name_id: 126 } o_iri { prefix_id: 3 name_id: 2 } } } rows { name { value: "RoCrateNanopub" } } rows { quad { p_iri { prefix_id: 6 name_id: 10 } o_iri { prefix_id: 10 name_id: 127 } } } rows { prefix { id: 1 value: "http://www.w3.org/2000/01/rdf-schema#" } } rows { name { value: "label" } } rows { quad { p_iri { prefix_id: 1 } o_literal { lex: "Research Object Crate for Python Protein Conformational Transitions calculations tutorial" } } } rows { name { id: 3 value: "sig" } } rows { name { id: 5 value: "hasAlgorithm" } } rows { quad { s_iri { prefix_id: 9 name_id: 3 } p_iri { prefix_id: 10 name_id: 5 } o_literal { lex: "RSA" } } } rows { name { value: "hasPublicKey" } } rows { quad { p_iri { } o_literal { lex: "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEA4pPaESKwmC6l37P86K6TNLq6yeQtc7m9CvcqauLs/1FC0viHvQnFBgxj0a+loPDv/Egwe6OqFpa0iW9Ypnyz9YPoh+pxbRXonbuMOb+8Ry9hXZ+TEKfWjhjVDGEaClwfRwglh2HI/xfV4CD9AgvDOEoZQiyta8a90PYwJ3G6e70oCHTn61+OWTkI9KRYHOYgg3btdy2Z7q/30PTFawb2ZT5aIfIJYobUYv2a7yhtcqWCHZeKv0bxGnRjTFNx1rscBMlLJSzvRtpQc1cCRVEPFZHo1adaXCI9tGvn4cxeNQ96y8dxkN1XhpaJairde+23MDzf42Oe97KG2HYzKiyVnQIDAQAB" } } } rows { name { id: 8 value: "hasSignature" } } rows { quad { p_iri { name_id: 8 } o_literal { lex: "KqVbTjkYTPc/3UyM87S6b7DmmvjvqrqBu86wjLTgRhZj/UX98vlGeqvlMe+BmAtZVicEUf61/d6cThHXm3VyU3EUSUJ98lfmVbTcVUDQ7vxAQ4PjfT8oklPC4t7/8XQauUuULBcLvrsMFR3NBfofU7jG2E64lPHRWJycCjTdXF+ZhXfaqzBxobOl+77EAF3AE4IHhsUaB2/GUpeoWsxSPiMT2qLrQOCTWJ+APr+OxT1dtBET3WmlaStg8FFwxyE9ssozQQzjUj9c7P/jdz1HdxoKUvICCKFsXKpd9Z92v+EVJHopGpOHMb0L8eFFOHoLyXsuO5B3G2+QEn2PkrPLWQ==" } } } rows { name { id: 11 value: "hasSignatureTarget" } } rows { quad { p_iri { name_id: 11 } o_iri { prefix_id: 2 name_id: 1 } } } rows { name { value: 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