'Structure factors' presentation slideshows

Introduction to Sir2011

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Direct Methods and Many Site Se-Met MAD Problems using BnP

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Refinement of Macromolecular structures using REFMAC5

Refinement of Macromolecular structures using REFMAC5. Garib N Murshudov York Structural Laboratory Chemistry Department University of York. Contents. Introduction Considerations for refinement TWIN TLS Dictionary and alternative conformations Bulk solvent

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Annotation Presentation Week 6

Annotation Presentation Week 6. Structure-based Evidence for Function (TIGRfam, Pfam and PDB). TIGRfams are protein families categorized by functional role. Concept: HMMs. A concrete example of an HMM:.

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Lesson 20

Lesson 20. Solving the structure Getting a good login The Phase Problem Charge Flipping. Exercises. b. 1. 0. Find the 11 enantiomorphic pairs of space groups (hint: all are of course chiral and possess 3 N , 4 N or 6 N axes). P31/P32 P41/P43 P61/P63 P41212/P432121 P4122/P4322

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Refinement against cryo -EM maps

Refinement against cryo -EM maps. Garib Murshudov MRC-LMB, Cambridge, UK. Contents. Importance of phases Fit into EM maps: likelihood and restraints Overfitting Effect of oversharpening Form factors.

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Selected examples: advantages/inconveniency of Powder/Single crystal data

Selected examples: advantages/inconveniency of Powder/Single crystal data. A.Daoud-aladine, (ISIS-RAL). Recall: structure factors formulas. For non-polarised neutrons. Nuclear Phase:. Magnetic Phase:. Scattering vector. h=H. Arrangement of the moments. Atomic positions. Structural

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PLATON/SQUEEZE

PLATON/SQUEEZE. Ton Spek Bijvoet Center Utrecht University, The Netherlands . PLATON Workshop Chicago, 24-July-2010. The Disordered Solvent Problem. Molecules of interest often co-crystallize (only) with the inclusion of a suitable solvent molecule.

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First-principles molecular dynamics studies of liquid and glasses

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Marshing: Past, Present and Future

Marshing: Past, Present and Future. Ton Spek National Single Crystal Service Facility Utrecht University The Netherlands. to be Marshed; Marshing. - My first encounter with the missionary work of Dick Marsh on missed higher symmetry was with the 1979 note in Inorganic Chemistry entitled:

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Updates on Validation and SQUEEZE

Updates on Validation and SQUEEZE. Ton Spek Utrecht University Bruker User Meeting Jacksonville (FL), Jan 19, 2016. Structure Validation 20 Years.

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Things to do in XPREP Higher metric symmery search Space grup determination

Playing with the Data. Things to do in XPREP Higher metric symmery search Space grup determination Judging the quality of the data High reolution cutoff Anomalous scattering Merohedral twinning. Information about Laue symmetry or lattice centering. SMART. SADABS. SAINT.

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EM Maps and Models in EMDB/PDB

EM Maps and Models in EMDB/PDB. Growth of EM entries. 680. 286. How EM experiments are archived. (~800 archived experiments as of Dec. 2009). 158. 74*. 564. *~1/3 rd of PDB-only entries have deposited Structure Factors. Created by EBI in 2002 for archiving EM maps

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Data activities of the International Union of Crystallography 2006-2008

Data activities of the International Union of Crystallography 2006-2008. Brian McMahon IUCr 5 Abbey Square Chester CH1 2HU bm@iucr.org. Crystallographic databases. Groom appointed new executive director of CCDC

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8:4. THE MASTER FORMULA OF NEUTRON SCATTERING

Chapter 8 - ELASTIC AND QUASIELASTIC/ INELASTIC NEUTRON SCATTERING. 8:4. THE MASTER FORMULA OF NEUTRON SCATTERING. 8:5. THE VARIOUS STRUCTURE FACTORS. 8:4. THE MASTER FORMULA OF NEUTRON SCATTERING. First Born Approximation:. Fermi pseudo-potential:. Calculate scattering element:.

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The IR theoretical approaches- a framework for analysis

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