Have you ever looked at a picture of a 3D structure and thought about how great it would be to actually see it in three dimensions, with the possibility to navigate (zoom, rotate) through the scene? Have you ever sent a screenshot of a 3D-structure representation prepared with a molecular visualization system such as VMD or PyMol and thought about how great it would be to send the whole scene instead of a static picture? Have you ever seen a nice molecular representation and thought about how great it would be to have the possibility to clone and modify it? Have you ever thought about Harry Potter’s animated newspapers when reading a scientific paper and exploring static figures trying to illustrate dynamic and/or flexibility properties extracted from a Molecular Dynamics simulation? If your answer is yes to any of these questions, this webinar is for you.
3D Representation Sharing (3dRS) is a web-based tool designed to share biomolecular structure representations, including 4D ensembles derived from Molecular Dynamics (MD) trajectories. 3dRS offers a single URL to share and discuss structural data in an interactive fashion, with the possibility to use it as a live figure for scientific papers. The web tool allows an easy upload of structures and trajectories in different formats, and their rendering with multiple, pre-defined 3D molecular representations. The 3D representations, powered by NGL viewer, offers an interactive display with smooth visualization in modern web browsers. The server requires no registration and is available at https://mmb.irbbarcelona.org/3dRS
Adam Hospital is a Postdoctoral fellow at the Molecular Modeling and Bioinformatics Unit (MMB) – Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and research software engineer for the Spanish National Institute of Bioinformatics (INB). From a computer science background, he jumped to the bioinformatics world and got trapped by the fascinating field of structural bioinformatics. He has been involved in scientific projects at IRB and at the Barcelona Supercomputing Center (BSC), and he is currently leading the workflows team in the BioExcel CoE. While working as a bioinformatician, he obtained his PhD in Biotechnology from the University of Barcelona with his thesis “High Throughput Computational Studies of Macromolecular Structure Flexibility”. He has developed a set of public web servers and databases related to macromolecular structure flexibility, including MDWeb, NAFlex and BigNASim.
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Title: 3dRS: a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics Trajectories