Irina Safiulina‡, Miguel Angel Gonzalez‡, Paolo Mutti‡, Giuseppe La Rocca§, Enol Fernández§Corresponding author: Irina Safiulina ( safiulina@ill.fr ) Corresponding author: Miguel Angel Gonzalez ( gonzalezm@ill.fr ) © Irina Safiulina, Miguel Angel Gonzalez, Paolo Mutti, Giuseppe La Rocca, Enol Fernández. This is an open access preprint distributed under the terms of the Creative Commons Attribution License (CC BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Citation:
Safiulina I, Gonzalez MA, Mutti P, La Rocca G, Fernández E (2023) A Jupyter notebook to explore protein conformations: An output of PaNOSC SP8 case. ARPHA Preprints. https://doi.org/10.3897/arphapreprints.e116668 |  |
Small-angle scattering techniques are widely employed across scientific communities to elucidate the morphology, spatial distribution, and uniformity of particles within liquid solutions. Recent advancements and accelerated data acquisition capabilities have extended the utility of these techniques to probe the dynamic behavior of particles over time. Small-Angle X-ray Scattering (SAXS) and Small-Angle Neutron Scattering (SANS) emerge as powerful tools in this realm, enabling the investigation of phenomena such as the time-dependent release of genomes from phages, the comprehensive exploration of viral life cycles, and the assembly dynamics of macromolecular complexes. This tandem application of X-rays and neutrons, exemplified by the collaborative SANS-SAXS initiative between the European Synchrotron Radiation Facility (ESRF) and the Institut Laue-Langevin (ILL), yields complementary insights into complex infection pathways.
In this report, we present the outcomes of a software development project undertaken as part of Science Project 8: "PaNOSC Dynamics of Biological Processes" within the EOSC Future framework. The project's deliverables include a Jupyter Notebook and accompanying Python scripts, specifically sas_helper.py. The primary objective of Science Project 8 is to expand the accessibility of open Small-Angle Neutron Scattering (SANS) and Small-Angle X-ray Scattering (SAXS) data to a broader scientific community. This endeavor underscores the profound transformative potential of open-science data analysis within the European Open Science Cloud (EOSC) framework while advocating for the adoption of FAIR (Findable, Accessible, Interoperable, and Reusable) principles in scientific research.