Virtual Folder—Components and Tools Tomáš Kulhánek, Chris Morris, Martyn Winn Scientific Computing Department, STFC Daresbury Laboratory United Kingdom Instruct Biennial 24-26 May 2017, Brno, Czech Republic Public and private deployment Scientific Portal Integration West-Life is a H2020 Virtual Research Environment project that will provide the application level services specific to uses cases in structural biology, covering all experimental techniques (e.g. Xray, cryo-EM, NMR, SAXS), enabling structural biologists to get the benefit of the generic services developed by EUDAT (data storage) and the EGI (grid and cloud- computing). Virtual Folder is one part of this project and aims to perform tasks and workflows of integrative structural biology with focus on data management, stored within different storage providers. The Virtual Folder leverages on software suites of CCP4, SCIPION and others. Supported storages: B2DROP, provided by EUDAT; commercial DROPBOX; any data storage providing standard WEBDAV interface (here PCLOUD). File Manager lists all files within connect- ed storages. It can show a RAW file con- tent in Text View mode —or render a view in LiteMol viewer able to visualize protein structure defined in PDB format or BinaryCIF. (Up) File Picker and Upload Dir Picker components re- ferred from third party portal. They return unique URL link- ing to file or directory.(Right) Pilot integration into DISVIS service opens popup window with File Picker http://milou.science.uu.nl/cgi/services/DISVIS/disvis/ Custom Dataset System Architecture Guide Public (Up) https://portal.west-life.eu Default portal web site. (Right Up) Login redirects to Instruct ARIA Login/ Register. (Right) After Login, User specific view of his Virtual Folder is presented. Private (Bottom) Single user. Download VM image from ap- pdb.egi.eu (OpenStack and OpenNebula templates based on Cern-VM) (18MB), bootstrap downloads additional ~100MB. Source codes https://github.com/h2020-westlife-eu/west-life-wp6 Vagrant (VM + environment) git clone https://github.com/h2020-westlife-eu/wp6-vm.git cd wp6-vm vagrant up Scientific Software Integration Scipion tools (Up) CCP4 suite (Down) access di- rectly files in the West-Life Virtual Folder. (private deployment only) Development Environment (Left) Dataset definition compo- nent. Integrated with autocomplete and other services and visualization components of Protein Databank in Europe by EMBL EBI[1], PDB-REDO databank by NKI[2] and Protein resi- due interaction by MRC Laboratory of Molecular Biology[3] [1] https://www.ebi.ac.uk/pdbe/pdb-component-library/ [2] http://pdb-redo.eu/ [3] http://www.mrc-lmb.cam.ac.uk/rajini/about.html Project partners: European Molecural Biology Laboratory (EMBL), Utrecht University (UU), Science and Technology Facilities Council (STFC), Netherlands Cancer Institute (NKI), National Institute of Nuclear Physics (INFN), Masaryk University (MU), Spanish National Re- search Council (CNIC), Consorzio Interuniversitario di Risonanze Magnetiche di Metalloprotaine (CIRMMP), Instruct, Luna Technologies. This project is funded by Horizon 2020 West-Life is part of the e-Infrastructure Virtual Research Environment (VRE) project No. 675858