. . . . "WorkflowHub" . "https://about.workflowhub.eu/" . . "Workflow RO-Crate Profile" . "0.2.0" . . . . . . . "Małgorzata Wolniewicz" . . "https://orcid.org/0000-0002-8291-8071" . "Adam Hospital" . . "https://orcid.org/0000-0003-0513-0288" . "Genís Bayarri" . . "https://www.python.org/" . "Python" . "https://www.python.org/" . . "European Union" . . "https://www.wikidata.org/wiki/Q458" . "earth sciences" . . "100.0" . "0.9429057240486145" . "Language" . . "Arts, culture and entertainment/Culture/Language" . "transitions calculations tutorial" . . "31.882022471910112" . "22.7" . "Blocks library" . . "12.048192771084338" . "6.0" . "European Commission" . . "6.315789473684211" . "4.8" . "http" . . "18.026315789473685" . "13.7" . "software" . . "5.2631578947368425" . "4.0" . "European Commission" . . "https://www.wikidata.org/wiki/Q8880" . "research" . . "7.2368421052631575" . "5.5" . "research object crate" . . "33.70786516853932" . "24.0" . "Protein Conformational Transitions calculation" . . "6.741573033707865" . "4.8" . "crate" . . "8.81578947368421" . "6.7" . "service-account-enrichment" . . . . . "173688"^^ . "https://api.rohub.org/api/ros/5a22516f-8ab0-412a-b9c0-cdd64dfa01db/crate/download/" . "Stable" . . "2023-09-08 12:07:53.841570+00:00" . "2024-03-05 12:23:16.620811+00:00" . "2023-09-08 12:07:53.841570+00:00" . "# Protein Conformational Transitions calculations tutorial using BioExcel Building Blocks (biobb) and GOdMD\r\n\r\nThis tutorial aims 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\")" . "application/ld+json" . . . . . . . . "https://w3id.org/ro-id/5a22516f-8ab0-412a-b9c0-cdd64dfa01db" . "https://github.com/bioexcel/biobb_workflows/tree/master/biobb_wf_godmd/python" . . "workflow.py" . "Research Object Crate for Python Protein Conformational Transitions calculations tutorial" . "https://workflowhub.eu/workflows/550/ro_crate?version=1" . . . . "https://w3id.org/ro-id/7c022347-245f-44df-925e-a8a8618e1636" . "https://w3id.org/ro-id/02639f81-34f0-4681-8b84-02747f67c6d3" . "https://w3id.org/ro-id/4119ccc9-441b-4e18-9955-17e1de1a4226" . "https://w3id.org/ro-id/1be85846-4404-463f-bd34-7ab0ef05b2a6" . "https://w3id.org/ro-id/1c180512-12fc-4328-bce0-2ed8a2f9b6e1" . "https://w3id.org/ro-id/2b80e7ac-c678-40f8-bfad-23aa92cd0de7" . "https://w3id.org/ro-id/432850a6-f19b-45ce-8b71-7dee726a6525" . "https://w3id.org/ro-id/597cdd1e-46b2-46e7-b9e6-432eb42f8bd5" . "https://w3id.org/ro-id/856cc2c7-3311-4570-87e2-aa0e232ed9dd" . "https://w3id.org/ro-id/906d6d30-9535-4746-8116-1fa87c8fc50d" . "https://w3id.org/ro-id/a559e7bb-5382-4613-972c-ff66c73dd78f" . "https://w3id.org/ro-id/be1b4683-efba-42a1-96f4-2a5c13788f1f" . "https://w3id.org/ro-id/c7fc096f-1df9-4ff7-a9cf-d7093f250a48" . "https://w3id.org/ro-id/d5cb18c3-9a24-475e-b305-a757614769ab" . "https://w3id.org/ro-id/d6df512c-48f6-45dc-b985-0b95322bed42" . "https://w3id.org/ro-id/05d4f0ad-20a6-48eb-9805-43f862a63980" . "https://w3id.org/ro-id/99abce52-c10a-45fa-8290-5284fd83f630" . "https://w3id.org/ro-id/1811b0bd-d33c-402c-bc2e-eb28ad7b14f5" . "https://w3id.org/ro-id/6d030396-824d-4471-b14f-7bc1651e15ff" . "https://w3id.org/ro-id/e3448395-c7f2-4d99-bbc4-13e32aac7c0f" . "https://w3id.org/ro-id/195b7d97-fbce-465b-b59e-614b12709121" . "https://w3id.org/ro-id/5c854193-6e66-46a7-88d9-b09d00a25ff7" . "https://w3id.org/ro-id/619607fe-01bc-4ad1-8526-45dd8ff11adf" . "https://w3id.org/ro-id/78471595-7181-4162-a0dd-ebcf032965b4" . "https://w3id.org/ro-id/8b17eb63-e653-46e2-a95a-0d21f77cb58e" . "https://w3id.org/ro-id/e173f9df-3adc-43a1-8d88-2a189f75da87" . "https://w3id.org/ro-id/8c371fde-9e72-4560-b724-57420ec947ca" . "https://w3id.org/ro-id/b7059bb6-eb37-4334-a3f8-9f555a29ebb7" . "https://w3id.org/ro-id/1882a4f9-149c-4fb5-8688-005f9fe339ac" . "https://w3id.org/ro-id/45735c4c-3437-4f05-83a4-786eb764b84d" . "https://w3id.org/ro-id/55d358a8-5be1-454f-b312-fb38e5f1a89a" . "https://w3id.org/ro-id/65df020f-c970-4c3a-ab8f-0446ac400ccd" . "https://w3id.org/ro-id/800ec76e-bb8f-450e-a6d7-ca5dbeeaffb3" . "https://w3id.org/ro-id/6dc6419f-c5b4-43bf-b730-d29e88a5e0a3" . "https://w3id.org/ro-id/c35d7a60-b22d-4071-9a86-7b443c2b4e70" . "https://w3id.org/ro-id/c42f77b4-72c1-44b3-9833-5ac728acdfd5" . "https://w3id.org/ro-id/8759aa65-f70e-4f36-b82d-f36c71c2b309" . "Adam Hospital, and Genís Bayarri. \"Research Object Crate for Python Protein Conformational Transitions calculations tutorial.\" ROHub. Sep 08 ,2023. https://w3id.org/ro-id/5a22516f-8ab0-412a-b9c0-cdd64dfa01db." . . "3067"^^ . "https://api.rohub.org/api/resources/3c61c108-74e1-47c7-a260-eb0537cba4eb/download/" . . "2023-09-08 12:07:54.885797+00:00" . "2023-09-08 12:07:55.672436+00:00" . "text/markdown" . . "README.md" . "2023-09-08 12:07:54.885797+00:00" . . . . "191"^^ . "https://api.rohub.org/api/resources/4907cdb5-10f2-4733-8ef3-bad6b11b7c96/download/" . . "2023-09-08 12:07:54.891727+00:00" . "2023-09-08 12:07:56.299192+00:00" . . "workflow.env.yml" . "2023-09-08 12:07:54.891727+00:00" . . . . "310554"^^ . "https://api.rohub.org/api/resources/4d8eca61-cfa2-4f55-98aa-99da831cdb70/download/" . . "2023-09-08 12:07:54.890977+00:00" . "2023-09-08 12:07:56.071720+00:00" . "chemical/x-pdb" . . "target.pdb" . "2023-09-08 12:07:54.890977+00:00" . . . . "358344"^^ . "https://api.rohub.org/api/resources/63e67f81-9e21-464f-8fdf-8109ddaaafe6/download/" . . "2023-09-08 12:07:54.888627+00:00" . "2023-09-08 12:07:55.874710+00:00" . "chemical/x-pdb" . . "origin.pdb" . "2023-09-08 12:07:54.888627+00:00" . . . . "2082"^^ . "https://api.rohub.org/api/resources/6fd0af4f-75c1-4f96-a612-df2a27e98b5f/download/" . . "2023-09-08 12:07:54.893204+00:00" . "2023-09-08 12:07:56.694649+00:00" . . "workflow.yml" . "2023-09-08 12:07:54.893204+00:00" . . . "https://ror.org/https://doi.org/10.48546/workflowhub.workflow.550.1" . . "12621"^^ . "https://api.rohub.org/api/resources/979b17d0-4e29-41fe-aba0-aff0e52eefb4/download/" . . "2023-09-08 12:07:54.894101+00:00" . "2023-09-08 12:07:59.526567+00:00" . "text/html" . . "ro-crate-preview.html" . "2023-09-08 12:07:54.894101+00:00" . . . . "https://bioschemas.org/profiles/ComputationalWorkflow/1.0-RELEASE/" . . "3599" . "https://api.rohub.org/api/resources/ba0c3a65-210e-4dc4-8f0a-c80ded0a3d5f/download/" . . "2023-08-02 10:06:40+00:00" . "2023-09-08 12:07:59.360678+00:00" . "# Protein Conformational Transitions calculations tutorial using BioExcel Building Blocks (biobb) and GOdMD\r\n\r\nThis tutorial aims 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\")" . "text/x-python" . . "Python Protein Conformational Transitions calculations tutorial" . "https://workflowhub.eu/projects/11" . "#python" . "2023-08-02 10:06:40+00:00" . "https://about.workflowhub.eu/" . "https://github.com/bioexcel/biobb_workflows/blob/master/biobb_wf_godmd/python/workflow.py" . "1" . . . . . . . . "Protein" . . "12.248995983935744" . "6.1" . "tutorial" . . "20.68273092369478" . "10.3" . "EU H2020" . . "9.691011235955056" . "6.9" . "Software" . . "Economy, business and finance/Economic sector/Computing and information technology/Software" . "Research Object Crate for Python Protein Conformational Transitions calculations tutorial." . . "28.376327769347494" . "18.7" . "calculation" . . "14.2570281124498" . "7.1" . "arithmetic" . . "100.0" . "0.9" . "BioExcel Building Blocks" . . "17.977528089887638" . "12.8" . "calculation" . . "10.657894736842104" . "8.1" . "2015-2023" . . "http" . . "24.49799196787149" . "12.2" . "life sciences" . . "100.0" . "0.6654151082038879" . "European Union" . . "7.7631578947368425" . "5.9" . "other earth sciences" . . "100.0" . "0.9429057240486145" . "binary synchronous protocol" . . "3.9473684210526314" . "3.0" . "life sciences (general)" . . "100.0" . "0.6654151082038879" . "python" . . "5.789473684210527" . "4.4" . "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/" . . "29.59028831562974" . "19.5" . "# Protein Conformational Transitions calculations tutorial using BioExcel Building Blocks (biobb) and GOdMD" . . "42.03338391502276" . "27.7" . "license" . . "4.7368421052631575" . "3.6" . "tutorial" . . "15.526315789473685" . "11.8" . "aim" . . "5.921052631578948" . "4.5" . "BioExcel Building" . . "16.265060240963855" . "8.1" . "Library and museum" . . "Arts, culture and entertainment/Culture/Library and museum" . "Genís Bayarri" . . "Adam Hospital" . . "BioBB Building Blocks" . . . . "2025-11-11T16:09:15.205+01:00"^^ . . . "Research Object Crate for Python Protein Conformational Transitions calculations tutorial" . "RSA" . "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEA4pPaESKwmC6l37P86K6TNLq6yeQtc7m9CvcqauLs/1FC0viHvQnFBgxj0a+loPDv/Egwe6OqFpa0iW9Ypnyz9YPoh+pxbRXonbuMOb+8Ry9hXZ+TEKfWjhjVDGEaClwfRwglh2HI/xfV4CD9AgvDOEoZQiyta8a90PYwJ3G6e70oCHTn61+OWTkI9KRYHOYgg3btdy2Z7q/30PTFawb2ZT5aIfIJYobUYv2a7yhtcqWCHZeKv0bxGnRjTFNx1rscBMlLJSzvRtpQc1cCRVEPFZHo1adaXCI9tGvn4cxeNQ96y8dxkN1XhpaJairde+23MDzf42Oe97KG2HYzKiyVnQIDAQAB" . "KqVbTjkYTPc/3UyM87S6b7DmmvjvqrqBu86wjLTgRhZj/UX98vlGeqvlMe+BmAtZVicEUf61/d6cThHXm3VyU3EUSUJ98lfmVbTcVUDQ7vxAQ4PjfT8oklPC4t7/8XQauUuULBcLvrsMFR3NBfofU7jG2E64lPHRWJycCjTdXF+ZhXfaqzBxobOl+77EAF3AE4IHhsUaB2/GUpeoWsxSPiMT2qLrQOCTWJ+APr+OxT1dtBET3WmlaStg8FFwxyE9ssozQQzjUj9c7P/jdz1HdxoKUvICCKFsXKpd9Z92v+EVJHopGpOHMb0L8eFFOHoLyXsuO5B3G2+QEn2PkrPLWQ==" . . .