XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
Conference Agenda
Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).
Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:00:52am CET
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Session Overview | |
| Location: virtual |
| Date: Wednesday, 11/Aug/2021 | ||
| 9:00am - 6:30pm |
School - Electron: Electron Crystallography School Location: virtual Chair: Xiaodong Zou Chair: Louisa Meshi Chair: Lukáš Palatinus Website - virtual Videos I: Introduction -
Kolb: ADT -
Hovmöller: RED
Videos II: Mugnaiolli: From precession... - Abrahams: Continuos rotation... - Yonekura: 3D ED ... Videos III: Hadermann: X-ray and electron... - Hovmoller: Symmetry... - Meshi: Unit cell ... Videos IV: Xu: Sample preparation... - Nannenga: Data collection... - Willhammar: cRed data collection ... Videos V: Gonen: MicroEd... - Sponsors The development of 3D ED on studying structure and charge state of protein microcystals Unit cell and space group determination from ED and CBED |
Workshop - Data: When should small molecule crystallographers publish raw diffraction data? Location: virtual Chair: Amy Sarjeant Chair: Simon John Coles Website - virtual |
| Date: Thursday, 12/Aug/2021 | |||
| 9:00am - 4:00pm |
Workshop CCDC/FIZ: CSD and ICSD workshop Location: virtual Chair: Suzanna Ward Chair: Annett Steudel |
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| 9:00am - 6:30pm |
School - Electron 2: Electron Crystallography School Location: virtual Chair: Xiaodong Zou Chair: Louisa Meshi Chair: Lukáš Palatinus Videos I: Waterman: ED data processing... -
Waterman: Dials...
Videos II: Diederichs: XDS software... - Smeets: Serial rotation... Videos III: Sun: Phasing... - Palatinus: Kinematic and dynamic... - Puschmann: Olex2... Videos IV: Uson: Phasing...macromolecules - McCoy: Phase... - Keegan: CCP4... ED Data Processing theory Different methods for phasing diffraction data – macromolecules |
SEC - Posters: Electron Crystallography School - Poster Location: virtual Chair: Xiaodong Zou Chair: Louisa Meshi Chair: Lukáš Palatinus Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2 Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors Spinel ferrite nanoparticles in core shell architecture for heat release Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model Crystal structure of Zeolite A solved by Precession Electron Diffraction Tomography Investigating structure transformations of LaxSr2-xMnO4-δ using in situ 3D electron diffraction in a gas environment Scipion-ed: a workflow-based and self-documenting program for 3DED data processing Model dependence (IAM vs. TAAM) of B-factors - cases of X-ray and electron diffraction On the Quality of Three-Dimensional Electron Diffraction Data for Direct Location of Guest Molecules in Open-Framework Materials Utilizing Scipion-ED for 3DED data processing Structural basis of higher-order assembly formation in Toll-like receptor 1,2 and 6 signaling pathway Prospects for improved quantitative electron diffraction. Analysis of electrostatic interaction energies in complexes of IFIT5 proteins with RNA via UBDB+EPMM method Polymorphism within molecular systems revelaed by 3D electron diffraction. Unraveling unforeseen disorders in silicates with 3D electron diffraction |
Workshop - Data2: When should small molecule crystallographers publish raw diffraction data? Location: virtual Chair: Amy Sarjeant Chair: Simon John Coles |
| Date: Friday, 13/Aug/2021 | ||
| 8:30am - 4:30pm |
Workshop - Olex: Olex2 workshop Location: virtual Chair: Horst Puschmann |
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| 9:00am - 5:00pm |
School - Electron 3: Electron Crystallography School Location: virtual Chair: Xiaodong Zou Chair: Louisa Meshi Chair: Lukáš Palatinus Videos I: Murshudov: Refinement of macromolecular... -
Yamashita: Coot... Videos III: Palatinus: PETS and Jana 2006... - Palatinus: Dynamic refinement... Videos IV: Afonine: Phenix... - Afonine: Phenix-sof demo... QA. |
Workshop - ICDD: ICDD workshop Location: virtual Chair: Thomas Nelson Blanton Chair: Jose Miguel Delgado Virtual workshop |
| Date: Saturday, 14/Aug/2021 | |
| 9:00am - 1:00pm |
Workshop - APEX: APEX4 Workshop (Bruker) Location: virtual Website - virtual |
| 9:00am - 3:00pm |
Workshop - MX: MX Raw image data and metadata, formats and validation Location: virtual |
| Date: Sunday, 15/Aug/2021 | |
| 5:10pm - 6:10pm |
Workshop - High Score: Easy automation and more accurate analysis with High Score Plus (V4) Location: virtual Website - virtual |
| Date: Thursday, 19/Aug/2021 | |
| 1:00pm - 2:30pm |
ECA - SIG-3: ECA - SIG-3 Aperiodic Crystals Location: virtual |
| 2:00pm - 2:45pm |
ECA - GIG-3: ECA - GIG-3 Education in Crystallography Location: virtual |
| Date: Friday, 20/Aug/2021 | ||
| 1:00pm - 2:30pm |
ECA - SIG-13: ECA - SIG-13 Molecular Structure and Chemical Properties Location: virtual |
ECA - SIG-9: ECA - SIG-9 Crystallographic Computing Location: virtual |
| 1:45pm - 2:45pm |
ECA - SIG-7: ECA - SIG-7 Molecular Interaction and Recognition Location: virtual |
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| Date: Wednesday, 25/Aug/2021 | |
| 2:00pm - 6:00pm |
Workshop - Resolution matters: Resolution Matters:- Discover the pathway from a high resolution 2D scan to the best phase analysis (Panalytical) Location: virtual Join us on 25th August 2pm with Alejandro Rodríguez Navarro Register Here: www.malvernpanalytical.com/IUCr2021
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| Date: Wednesday, 01/Sept/2021 | ||
| 2:00pm - 8:00pm |
School - Computing: Crystallographic Computing School Location: virtual Chair: Martin Lutz Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |
School - ePDF: School on electron PDF (pair-distribution function) Location: virtual Chair: Tatiana Gorelik virtual meeting |
| Date: Thursday, 02/Sept/2021 | |
| 2:00pm - 8:00pm |
School - Computing 2: Crystallographic Computing School Location: virtual Chair: Martin Lutz Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |
| Date: Friday, 03/Sept/2021 | |
| 2:00pm - 8:00pm |
School - Computing 3: Crystallographic Computing School Location: virtual Chair: Martin Lutz Chair: Claudia Millán The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data. |
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