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Scientific topics: crystallography  or macromolecular crystallography  or multi wavelength anomalous ...  or photo crystallography  or single wavelength anomalous...  or fragment screening  or long wavelength crystallogr...  or microfocus macromolecular c...  or nanofocus macromolecular cr...  or molecular replacement  or

Containerized Serial Crystallography “CrystFEL” VISA workflow

Experiments generate up to 150 TB per day of data saved at the measurement facility. Such large datasets are impractical for users to take home. Subsequent analysis needs to be performed remotely making it attractive for deployment as a cloud-like use case. Involving EOSC in the analysis and...

Scientific topics: crystallography

Keywords: CrystFEL, Serial crystallography, pulsed X-ray beam, VISA

Resource type: workflow

Containerized Serial Crystallography “CrystFEL” VISA workflow https://pan-training.eu/materials/containerized-serial-crystallography-crystfel-visa-workflow Experiments generate up to 150 TB per day of data saved at the measurement facility. Such large datasets are impractical for users to take home. Subsequent analysis needs to be performed remotely making it attractive for deployment as a cloud-like use case. Involving EOSC in the analysis and re-use of this data is an appropriate use case. Serial crystallography is a beam-line technique for collecting information on the structure of a protein without growing large protein crystals. Instead, a large number of small protein crystals are held in a pulsed X-ray beam. In a second step, the series of produced images are used to reconstruct a precise 3-D image of the protein structure. Serial crystallography is the preferred technique for obtaining diffraction data of proteins at room temperature, where radiation damage from the X-ray beam starts rapidly. The standard software for analysing serial crystallography is “CrystFEL”. The proposed workflow was rendered in a standard fashion, which would allow it to be easily adopted by arbitrary systems or also other containerized applications. The only requirements are an Apptainer installation on the system and a Docker or Singularity/Apptainer image of the application, as well as an adjustment of the configuration file for the wrapper script. crystallography CrystFEL, Serial crystallography, pulsed X-ray beam, VISA research data scientist scientific
vDiffraction: A serious game about diffraction and crystals

#### This game is a fun way to discover the world of crystals and their symmetries through diffraction. Crystals are all around us: in our environment (rocks and minerals, etc), in our bodies (sugar, bones, gallstones, etc.) and in technology (metals and alloys, silicon and quartz used for...

Scientific topics: crystallography

Keywords: game, diffraction, crystal diffraction, software

Resource type: game

vDiffraction: A serious game about diffraction and crystals https://pan-training.eu/materials/vdiffraction-a-serious-game-about-diffraction-and-crystals #### This game is a fun way to discover the world of crystals and their symmetries through diffraction. Crystals are all around us: in our environment (rocks and minerals, etc), in our bodies (sugar, bones, gallstones, etc.) and in technology (metals and alloys, silicon and quartz used for microelectronics, etc.). By successively discovering the diffraction of X-rays, neutrons and electrons, scientists in the twentieth century threw the door to the microscopic world wide open by demonstrating that crystals are made ​​up of atoms and molecules and explaining their structure. Crystals are characterised by the fact that their constituents are arranged in a highly ordered structure. This internal order and its symmetry is clearly visible in the diffraction patterns produced by any crystal. It is this symmetry which is also gives crystals their often amazing shapes, making them highly prized by rockhounds. Whether you are a senior scientist, a student, or just curious about science, vDiffraction is a serious game that will let you try your hand at crystal diffraction so that you can begin to understand how scientists identify the symmetry characteristics of a crystal. This is the first, crucial step towards understanding the atomic and molecular structure of a crystalline material, in other words what type of atoms and molecules make up the crystal and how they are organised. crystallography game, diffraction, crystal diffraction, software
Lecture Series "Basics of Macromolecular Crystallography"

In the first lecture in the lecture Series "Basics of Macromolecular Crystallography", Andrea Thorn gives an overview of protein crystallization, some of its theoretical foundation and lots of practical advice on how (and how not) to crystallize your protein. The lecture was held on the 9th of...

Scientific topics: macromolecular crystallography

Keywords: Macromolecular Crystallography, crystallography

Resource type: video

Lecture Series "Basics of Macromolecular Crystallography" https://pan-training.eu/materials/lecture-series-basics-of-macromolecular-crystallography In the first lecture in the lecture Series "Basics of Macromolecular Crystallography", Andrea Thorn gives an overview of protein crystallization, some of its theoretical foundation and lots of practical advice on how (and how not) to crystallize your protein. The lecture was held on the 9th of June 2020 via Zoom and attended by 40 participants from different institutions/countries. See below for the following parts of the lecture. macromolecular crystallography Macromolecular Crystallography, crystallography
The Braggs Legacy

The scientific and human story behind the past, present and future of one of the most important ever developments in science. 100 years after it was first developed, crystallography is still a driving force of scientific discovery and innovation. Revealing the hidden structure and beauty of...

Scientific topics: crystallography

Keywords: bragg's law, crystallography, history

Resource type: video

The Braggs Legacy https://pan-training.eu/materials/the-braggs-legacy The scientific and human story behind the past, present and future of one of the most important ever developments in science. 100 years after it was first developed, crystallography is still a driving force of scientific discovery and innovation. Revealing the hidden structure and beauty of materials, it gives an insight into the invisible. This film from Diamond Light Source celebrates the work and lives of Sir William Henry Bragg and his son, Sir William Lawrence Bragg. Together, they established a new scientific discipline. A son with the theoretical understanding and father with the experimental technique to harness this knowledge. The technique emerged a century ago, but its power to reveal the minutiae of matter is as strong today as it was then. This film journeys through the key experiments and insights from 1912, and the torrent of discoveries that followed. With interviews and commentaries from leading scientists and historians of today, it is an exploration of the scientific and human story behind the past, present and future of one of the most important ever developments in science. crystallography bragg's law, crystallography, history general public
PaNdata software catalogue

PaNdata software catalogue is a database of software used mainly for data analysis of neutron and photon experiments.

Scientific topics: photon and neutron technique, crystallography, imaging, macromolecular crystallography, nuclear resonant scattering, powder diffraction, ptychography, radiotherapy, small angle x-ray scattering, small angle inelastic scattering, single crystal diffraction, surface crystallography, tomography

Keywords: software, FAIR, catalogue

Resource type: tool

PaNdata software catalogue https://pan-training.eu/materials/pandata-software-catalogue PaNdata software catalogue is a database of software used mainly for data analysis of neutron and photon experiments. photon and neutron technique crystallography imaging macromolecular crystallography nuclear resonant scattering powder diffraction ptychography radiotherapy small angle x-ray scattering small angle inelastic scattering single crystal diffraction surface crystallography tomography software, FAIR, catalogue scientists neutron community Photon Community research data scientist