. . . . "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/" . . "service-account-enrichment" . . . . . "407746"^^ . "https://api.rohub.org/api/ros/99f82558-26e6-4c3b-9282-e50d172dee93/crate/download/" . "Stable" . . "2023-09-08 12:09:35.881875+00:00" . "2024-03-05 12:23:16.491387+00:00" . "2023-09-08 12:09:35.881875+00:00" . "# Macromolecular Coarse-Grained Flexibility (FlexServ) tutorial using BioExcel Building Blocks (biobb)\r\n\r\nThis tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, 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/99f82558-26e6-4c3b-9282-e50d172dee93" . "https://github.com/bioexcel/biobb_workflows/blob/master/biobb_wf_flexserv/python" . . "workflow.py" . "Research Object Crate for Python Macromolecular Coarse-Grained Flexibility tutorial" . "https://workflowhub.eu/workflows/553/ro_crate?version=1" . . . . "Adam Hospital, and Genís Bayarri. \"Research Object Crate for Python Macromolecular Coarse-Grained Flexibility tutorial.\" ROHub. Sep 08 ,2023. https://w3id.org/ro-id/99f82558-26e6-4c3b-9282-e50d172dee93." . . "3067"^^ . "https://api.rohub.org/api/resources/337344fa-0758-4a52-a42e-a6dc2d8aaef6/download/" . . "2023-09-08 12:09:36.622930+00:00" . "2023-09-08 12:09:37.905815+00:00" . "text/markdown" . . "README.md" . "2023-09-08 12:09:36.622930+00:00" . . . "https://bioschemas.org/profiles/ComputationalWorkflow/1.0-RELEASE/" . . "7454" . "https://api.rohub.org/api/resources/4e5a4359-d246-4e33-938a-40940b1fe9aa/download/" . . "2023-08-02 11:23:28+00:00" . "2023-09-08 12:09:41.924098+00:00" . "# Macromolecular Coarse-Grained Flexibility (FlexServ) tutorial using BioExcel Building Blocks (biobb)\r\n\r\nThis tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, 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 Macromolecular Coarse-Grained Flexibility tutorial" . "https://workflowhub.eu/projects/11" . "#python" . "2023-08-02 11:23:28+00:00" . "https://about.workflowhub.eu/" . "https://github.com/bioexcel/biobb_workflows/blob/master/biobb_wf_flexserv/python/workflow.py" . "1" . . . . . "https://ror.org/https://doi.org/10.48546/workflowhub.workflow.553.1" . . "12719"^^ . "https://api.rohub.org/api/resources/55bac860-2dcf-40ca-ad43-13817dba59e1/download/" . . "2023-09-08 12:09:36.628550+00:00" . "2023-09-08 12:09:41.415375+00:00" . "text/html" . . "ro-crate-preview.html" . "2023-09-08 12:09:36.628550+00:00" . . . . . "197"^^ . "https://api.rohub.org/api/resources/7fb76359-0a0f-4ac0-8972-1f71d0472542/download/" . . "2023-09-08 12:09:36.625269+00:00" . "2023-09-08 12:09:38.311915+00:00" . . "workflow.env.yml" . "2023-09-08 12:09:36.625269+00:00" . . . . "57996"^^ . "https://api.rohub.org/api/resources/8487127e-6d71-43b9-863b-3180be9ae78a/download/" . . "2023-09-08 12:09:36.624293+00:00" . "2023-09-08 12:09:38.114321+00:00" . "chemical/x-pdb" . . "structure.pdb" . "2023-09-08 12:09:36.624293+00:00" . . . . "412736"^^ . "https://api.rohub.org/api/resources/9138e0f5-2716-48d2-8aba-cf24ae14b1b7/download/" . . "2023-09-08 12:09:36.621805+00:00" . "2023-09-08 12:09:37.457685+00:00" . . "1a32.MoDEL.pcz" . "2023-09-08 12:09:36.621805+00:00" . . . . "7748"^^ . "https://api.rohub.org/api/resources/f02fc4ee-c9e8-45f0-a5f5-101033132c59/download/" . . "2023-09-08 12:09:36.627294+00:00" . "2023-09-08 12:09:39.200763+00:00" . . "workflow.yml" . "2023-09-08 12:09:36.627294+00:00" . . . . . . "Genís Bayarri" . . "Adam Hospital" . . "BioBB Building Blocks" . . . . "2025-11-11T16:09:14.386+01:00"^^ . . . "Research Object Crate for Python Macromolecular Coarse-Grained Flexibility tutorial" . "RSA" . 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