New paper highlights the EGI contribution to Structural Biology

The West-Life project just published a paper on the Journal of Structural Biology describing how they leveraged Europe’s e-Infrastructures to provide data processing and data management services for the international community of structural biologists.

The paper describes the West-Life Virtual Research Environment for structural biology, consisting of multiple components handling data processing, data management, compute resources, infrastructure for authentication and authorisation, quality assurance and user help. It also provides a summary of the portfolio of West-Life services to support experimental techniques, for example Macromolecular X-ray crystallography (MX), Nuclear Magnetic Resonance (NMR), or Electron cryo-Microscopy (cryo-EM).

These services include, for example, HADDOCK, DisVis and Powerfit and other EOSC-hub Thematic Services offered through the EOSC-hub Marketplace.

The West-Life paper also highlights the importance of the compute resources provided by the EGI Federation through an SLA where five data centers in the Netherlands, Italy, Portugal and Taiwan committed 53 million CPU hours and 54 terabytes of storage.

Thanks to this support, the West-Life services submit several million jobs a year to the EGI High-Throughput Compute grid infrastructure.

EGI also committed Federated Cloud resources supported by two sites in Czech Republic and Italy, with up to 160 virtual CPUs and up to 4 terabytes of storage. From its beginning, West-Life applications have consumed over 57 million CPU hours provided by the EGI HTC infrastructure, and executed over 4000 Virtual Machines for more than 700,000 hours on the EGI Federated Cloud.

The data centres contributing resources to West-Life services are: CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national e-infrastructures of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid.

Reference

Morris et al. 2019 West-Life: a virtual research environment for structural biology. Journal of Structural Biology. doi: 10.1016/j.yjsbx.2019.100006 (Full Text, Open Access)

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