Seminar: "Advanced Crystal Structure Analysis"
This is the list of topics for the Oberseminar
"Advanced Crystal Structure Analysis".
All seminars take place in the Hodgkin Seminar room (MN26), Thursdays, and start at
9.00am
Please send comments, corrections, etc. to 
Seminar List Winter Term 2014/2015
Topics for the seminars of winter term 2014/2015
| Date |
Title |
Speaker |
| Oct 23rd, 2014 |
TDS in Charge Density Refinement - a first step towards experimental
correction |
Benedikt Niepötter |
| Oct 30th, 2014 |
|
|
| Nov 06th, 2014 |
Computational Algorithms I: Symmetry in reciprocal space |
George Sheldrick |
| Nov 13rd, 2014 |
Status report: predicting hydrogen positions in crystals
|
Claudia Wandkte née Orben |
| Nov 18th, 2014, at 2PM |
Crystallography at its Extremes: Early-Stage Refinement of RNA
Pol I & Ion Occupancies at 2Å Resolution |
Tim Grüne |
| Nov 27th, 2014 |
Enhanced Rigid Bond Testing: A method for validating crystal structures |
Jens Lübben |
| Dec 04th, 2014 |
|
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| Dec 11th, 2014 |
Discussion on the validity of the Rfree concept in charge density
refinements |
Lennard Krause |
| Dec 18th, 2014 |
|
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| Dec 25th, 2014 |
|
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| Jan 01st, 2015 |
|
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| Jan 08th, 2015 |
|
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| Jan 15th, 2015 |
|
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| Jan 22nd, 2015 |
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| Jan 29th, 2015 |
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| Feb 05th, 2015 |
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Seminar List Summer Term 2014
Topics for the seminars of summer term 2014
| Date |
Title |
Speaker |
| Apr 24th, 2014 |
tba |
Jens Lübben |
| May 1st, 2014 |
Tag der Arbeit |
|
| May 8th, 2014 |
Electron Density Studies of S4N4 - Rfree and Paired Refinement |
Christian Schürmann |
| May 15th, 2014 |
Best of the DGK: "Combined AIM, ELI-D and ASF analysis of
asymmetric Zincocenes" |
C. Orben |
| May 22nd, 2014 |
An Empirical Correction for the Low Energy Contamination of Mirror Focused
X-Ray Radiation |
Lennard Krause |
| May 29th, 2014 |
Christi Himmelfahrt |
|
| Jun 5th, 2014 |
Journal Club |
Felix Engelhardt |
| Jun 12th, 2014 |
Automatic structure solution for weak anomalous data |
Navraj S. Pannu |
| Jun 19th, 2014 |
Inelastic Neutron Scattering with a simultaneous Raman experiment on
Paracyclophane |
Hilke Wolf |
| Jun 26th, 2014 |
|
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| Jul 3th, 2014 |
|
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| Jul 10th, 2014 |
Generation of Stereochemical Restraints for SHELXL with the GRADE Web
Server |
Julian Holstein |
| Jul 17th, 2014 |
Modern
Cross Validation in Crystallography |
Tim Grüne |
| Jul 24th, 2014 |
The Present of Arcimboldo |
Isabel Usón |
| Jul 31th, 2014 |
The Future of Arcimboldo |
Isabel Usón |
Seminar List Winter Term 2013/2014
Topics for the seminars of winter term 2013/2014
| Date |
Title |
Speaker |
| Oct 24th, 2013 |
Best of the ECM 2013 |
Claudia Orben and Jens Lübben |
| Oct 31th, 2013 |
Direct methods and the structure of an RNA double
helix. | George Sheldrick |
| Nov 7th, 2013 |
The effect of water on an imidazolium-based ionic liquid |
Sofiane Saouane |
| Nov 14th, 2013 |
XDS
for Small Molecule Data | Tim Grüne |
| Nov 21th, 2013 |
Quantification of Instrument Errors |
Hilke Wolf and Benedikt Niepötter |
| Nov 28th, 2013 |
|
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| Dec 5th, 2013 |
Slow dehydration of 70S ribosome crystals - a method of desperation.
From no/20-30A to 3 A resolution |
Sergei Trakhanov |
| Dec 12th, 2013 |
|
|
| Dec 19th, 2013 |
Slow dehydration of protein crystals. Changing resolution, unit cell
dimension and space groups at will |
Sergei Trakhanov |
| Jan 9th, 2014 |
|
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| Jan 16th, 2014 |
High-pressure hydrates of β-cyclodextrin |
Rubén Granero |
| Jan 23th, 2014 |
Hydrogen bonds |
Claudia Orben |
| Jan 30th, 2014 |
Macromolecular Methods for Charge Density Investigations |
Regine Herbst-Irmer |
| Feb 6th, 2014 |
Unexpected Electron Density Distribution in Carbene Complexes |
Birger Dittrich |
| Mar 6th, 2014 |
DGK-2014: "Refinement of Macromolecular Structures against Neutron Data with
SHELXL-2013" |
Tim Gruene |
Seminar List Summer 2013
List of seminars summer term 2013
| Date |
Title |
Speaker |
| Apr 11th, 2013 |
tba |
Christian Volkmann |
| Apr 18th, 2013 |
mrtailor and
external restraints for low resolution refinement |
Tim Grüne |
| Apr 25th, 2013 |
How does shelxt determine the space group? |
George Sheldrick |
| May 02nd, 2013 |
Phasetransitions in Paracyclophane |
Hilke Wolf |
| May 09th, 2013 |
Holiday (Ascension) |
|
| May 16th, 2013 |
Charge density analysis of Sililone |
Benedikt Niepötter |
| May 23th, 2013 |
Invarioms in a nutshell (tbc) |
Jens Lübben |
| May 30th, 2013 |
no seminar |
- |
| Jun 06th, 2013 |
Invariom refinement of crystal structures of derivatives of
Quinazoline-4-one and Benzimidazole |
Akmal Tojiboev |
| Jun 13th, 2013 |
The bond valence method |
George Sheldrick |
| Jun 20th, 2013 |
Generating H-ADP from the Invariom database |
Jens Lübben |
| Jun 27th, 2013 |
no seminar |
- |
| Jul 04th, 2013 |
Restraints for supramolecular crystallography |
Julian Holstein |
| Jul 11th, 2013 |
Fast quantitative diffraction Crystallite Size Distributions analysis |
Marwen Chaouachi |
Seminar List Winter 2012/2013
List ofseminars winter term 2012/2013
| Date |
Title |
Speaker |
| Oct 25th, 2012 |
The SFAC Card and the
Cromer-Mann-Parameters (N.B.: The refmac5 'bug' mentioned on p. 21 has
disappeared in Version 5.7.0032. Thanks to Garib Murshudov for sorting this out.) |
Tim Grüne |
| Nov 1st, 2012 |
High-pressure methodologies for physical form screening of pharmaceuticals |
Francesca Fabbiani |
| Nov 8th, 2012 |
Data Scaling with SADABS |
George Sheldrick |
| Nov 15th, 2012 |
Crystal Chemistry of Organic Semiconductors: Rubrene and its Substitution
Derivatives |
Stefano Bergantin |
| Nov 22nd, 2012 |
no seminar |
|
| Nov 29th, 2012 |
Small molecule crystallography with X-ray radiation generated by self-amplification of
spontaneous emission |
Mirko Scholz |
| Dec 6th, 2012 |
Two isomers of Hexasilabenzene in an Experimental Charge Density Study |
Daniel Kratzert |
| Dec 13th, 2012 |
Molecular replacement and density modification |
Andrea Thorn |
| Jan 10th, 2013 |
A comparison between a Silver- and a Molybdenum microfocus X-ray source |
Lennard Krause |
| Jan 17th, 2013 |
Shade correction for DACs: The case of a cell with two different opening angles |
Rubén Granero García |
| Jan 24th, 2013 |
Molecular Replacement: A Low Protein Sequence Identity Case |
Navdeep Sidhu |
| Jan 31st, 2013 |
Postponed |
|
| Feb 07th, 2013 |
tba |
J. Hey |
| Feb 14th, 2013 |
Radiation Damage Studies |
Kevin Pröpper |
| Mar 7th, 2013 |
FEL diffraction imaging of superfluid He droplets and embedded Xe clusters |
Andrey Vilesov |
Seminar List Summer 2012
List of shelx seminars summer term 2012"
| Date |
Title |
Speaker |
| Apr 19th, 2012 |
The use of simulated annealing for struture solution from high-pressure data |
Rubén Granero García |
| Apr 26th, 2012 |
Preliminary Refinement of a Deuterated Rubredoxin Neutron data set with shelxl |
Tim Grüne |
| May 3rd, 2012 |
Resolution Dependent Scaling - a Solution for Problems in a Multipole Refinement? |
Regine Herbst-Irmer |
| May 10th, 2012 |
Crystallisation of ionic liquids under non-ambient conditions |
Sofiane Saouane |
| May 17th, 2012 |
holiday |
|
| May 24th, 2012 |
TBA |
Christian Volkmann |
| May 31th, 2012 |
Progress report on shelxl |
George Sheldrick |
| Jun 07th, 2012 |
Bonded atom spherical scattering factors - current developments |
Claudia Orben |
| Jun 14th, 2012 |
Determining the electron density distribution from high-pressure data |
Francesca Fabbiani |
| Jun 21th, 2012 |
Solvent models |
Andrea Thorn |
| Jun 28th, 2012 |
A novel hydrate of α-cyclodextrin crystallised under high-pressure
conditions |
Rubén Granero García |
| Jul 05th, 2012 |
Bayesian and Maximum Entropy Methods |
Navdeep Sidhu |
| Jul 12th, 2012 |
Molecular and lattice vibrations from Einstein/Debye to Born/van Karman |
Birger Dittrich |
| Jul 19th, 2012 |
DNA - Protein Complex Structure Prediction: Ab initio Complex structure-solution via
ARCimboldo and SHELXE |
Kevin Pröpper |
Seminar List Winter 2011/2012
List of shelx seminars 2011"
| Date |
Title |
Speaker |
| Oct 13th, 2011 |
Practice talk Habilitation: Polymorphism |
B. Dittrich |
| Oct 27th, 2011 |
"Experience with borderline Sulphur-SAD" |
A. Thorn |
| Nov 3rd, 2011 |
"Anharmonic motion and its visualization in MoleCoolQt" |
C. Hübschle |
| Nov 10th, 2011 |
"High-pressure crystallography" |
F. Fabbiani |
| Nov 17st, 2011 |
ShelXle |
C. Hübschle |
| Nov 24th, 2011 |
Twinning |
A. Thorn |
| Dec 1st, 2011 |
"Herleitung sphärischer Atomformfaktoren" |
J. Holstein |
| Dec 8th, 2011 |
"Anharmonic Motion" |
R. Herbst-Irmer |
| Dec 15th, 2011 |
|
|
| Jan 12th, 2012 |
Summary CCP4 study weekend |
T. Grüne |
| Jan 19th, 2012 |
"Summary Crystallographic Computing School 2011" |
N. Sidhu |
| Jan 26th, 2012 |
XPREP, SADABS, and TWINABS |
G. Sheldrick |
| Feb 2th, 2012 |
"Newest inorganic structures evaluated with Invarioms" |
K. Pröpper |
| Feb 9th, 2012 |
Summary Ph.D. work |
N. Sidhu |
Seminar List Winter 2010/2011
List of shelx seminars 2011
| Date |
Title |
Speaker |
| Thu Oct 28, 2010 |
Introduction to Phasing |
G. M. Sheldrick |
| Thu Nov 04, 2010 |
shelx c/d/e (practice talk for the CCP4 workshop in Japan) |
A. Thorn |
| Thu Nov 11, 2010 |
Introduction to charge density crystallography |
B. Dittrich |
| Thu Nov 18, 2010 |
Chemical Properties of fluoroquinolone antibiotics |
J. Holstein |
| Thu Nov 25, 2010 |
Mopro and new features in MoleCoolQt |
C. Hübschle |
| Thu Dec 2, 2010 |
Anisotropic Displacement Parameters (ADP's) |
B. Dittrich |
| Thu Dec 9, 2010 |
Restraints and Refinement Philosopy |
G. M. Sheldrick |
| Thu Dec 16, 2010 |
TLS and rigid body restraints |
A. Thorn |
| Thu Jan 6, 2011 |
no seminar: CCP4 study week-end |
- |
| Thu Jan 13, 2011 |
Neutron Crystallography & Laue Diffraction |
Tim Grüne |
| Thu Jan 20, 2011 |
Highlights from the CCP4 study week-end |
T. Grüne |
| Thu Jan 27, 2011 |
Current status of linShelx |
C. Hübschle |
| Thu Feb 3, 2011 |
Thiopeptides - Thiostrepton |
K. Pröpper |
| Thu Feb 10, 2011 |
N/N |
B. Dittrich |
Last modified: Mar 25, 2020 22:49
