11-14 June 2023
Lund
Europe/Stockholm timezone

PReSTO: Structural Biology Software in a High Performance Compute Environment

Not scheduled
20m
Palaestra et Odeum & AF Borgen (Lund)

Palaestra et Odeum & AF Borgen

Lund

Sweden
Poster

Speaker

Aaron Finke

Description

PReSTO is a software stack for integrated structural biology adapted to high performance computing resources at the Swedish National Infrastructure for Computing (SNIC) and the local MAX IV compute cluster. Our aim is to support integrative structural biologists evaluate their data from macromolecular X-ray crystallography (MX), X-ray free electron lasers (XFEL), nuclear magnetic resonance spectroscopy (NMR), cryo-electron microscopy (cryo-EM), neutron scattering (NMX), and small-angle X-ray scattering (SAXS). The purpose of PReSTO is to provide users with convenient access to useful software already set up and optimized for powerful supercomputing platforms. The PReSTO team supports software updates and bugs and assists users by facilitating access to the various platforms we support.

Primary authors

Marcos Acebes (Lund University) Alexandra Ahlner (Linköping University) Oskar Aurelius (MX) Aaron Finke Ana Gonzalez (MAX IV) Karl Hörnell (National Supercomputing Centre) Christian Luckey (National Supercomputing Centre) Zdenek Matej Martin Moche (Karolinska Institutet) Jie Nan (MX-group) Torben Rasmussen (National Supercomputer Centre) Anders Sjöström (Lund University) Maria Sunnerhagen Sebastian Thorarensen (National Supercomputing Centre)

Presentation Materials

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